SCHEMBL3048419

SCHEMBL3048419

COC(=O)C(O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
KCNA5 P22460 4/20 0.45
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CFTR P13569 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GOPC Q9HD26 1/20 0.43
PDE4D Q08499 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9313982 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL10827291 0.83 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL28421108 0.83 CYP19A1 (0.58) ALDH1A1SMN1; SMN2KMT2AGAAKDM4E
SCHEMBL30430689 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL5216927 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL28205036 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL8948339 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL28520217 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL14828702 0.80 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1GAAPOLB
SCHEMBL28049857 0.80 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1GAAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 US disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed
US-11267826-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-03-08 US disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
EP-3630783-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
US-20100261929-A1 PROCESS AND APPARATUS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA-HYDROXYESTER COMPOUND NIPPOH CHEMICALS CO., LTD. (JP) 2010-10-14 US disclosed
US-20100256409-A1 PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA HYDROXYESTER COMPOUND NIPPOH CHEMICALS CO., LTD. (JP) 2010-10-07 US disclosed
EP-2213657-A1 PROCESS AND APPARATUS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA -HYDROXYESTER COMPOUND Nippoh Chemicals Co., Ltd (JP) 2010-08-04 EP disclosed
EP-2213656-A1 PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA-HYDROXYESTER COMPOUND Nippoh Chemicals Co., Ltd (JP) 2010-08-04 EP disclosed
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 ALDH1A1 2390/4885SMN1; SMN2 4325/4885LMNA 4578/4885
US-11267826-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL ALDH1A1 2794/4885SMN1; SMN2 3101/4885LMNA 3468/4885
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 ALDH1A1 2390/4885SMN1; SMN2 4325/4885LMNA 4578/4885
US-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 ALDH1A1 208/4885SMN1; SMN2 4263/4885LMNA 2547/4885
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ALDH1A1 2794/4885SMN1; SMN2 3101/4885LMNA 3468/4885
US-20100261929-A1 PROCESS AND APPARATUS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA-HYDROXYESTER COMPOUND HPD, HAAO, PCCA ALDH1A1 1000/4885SMN1; SMN2 4396/4885LMNA 2196/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 ALDH1A1 264/4885SMN1; SMN2 4221/4885LMNA 2226/4885
US-20100256409-A1 PROCESS FOR PRODUCTION OF CYANOHYDRIN COMPOUND, AND PROCESS FOR PRODUCTION OF ALPHA HYDROXYESTER COMPOUND HPD, CYP8B1, PCCA ALDH1A1 733/4885SMN1; SMN2 4445/4885LMNA 1831/4885
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN ALDH1A1 3571/4885SMN1; SMN2 4568/4885LMNA 1934/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.