Sugi Predict

Sugi Predict / Compounds / SCHEMBL17839656

SCHEMBL17839656

SCHEMBL17839656

NNc1ccccc1OC(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.46
▸ SLC22A12 Q96S37 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ PTGES2 Q9H7Z7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ ULK1 O75385 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL29666377 1.00 KMT2A (0.51) KMT2ASMN1; SMN2HTTALDH1A1SLC22A12
SCHEMBL2044836 0.79 KMT2A (0.56) KMT2ASMN1; SMN2HTTALDH1A1SLC22A12
SCHEMBL31130258 0.79 IRAK4 (0.47) KMT2ASMN1; SMN2ALDH1A1ALOX12PTGES2
SCHEMBL9230833 0.79 KMT2A (0.51) KMT2ASMN1; SMN2HTTALDH1A1SLC22A12
SCHEMBL24460820 0.79 HTT (0.43) KMT2ASMN1; SMN2HTTALDH1A1SLC22A12
SCHEMBL30845298 0.79 HTT (0.43) KMT2ASMN1; SMN2HTTALDH1A1SLC22A12
SCHEMBL18884312 0.79 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2HTTALDH1A1PTGES2
SCHEMBL4654255 0.77 DRD1 (0.48) KMT2ASMN1; SMN2HTTALDH1A1SLC22A12
SCHEMBL10310198 0.76 KMT2A (0.56) KMT2ASMN1; SMN2HTTALDH1A1ALOX12
SCHEMBL11918910 0.76 ALDH1A1 (0.58) KMT2ASMN1; SMN2HTTALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — US disclosed
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — US disclosed
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — US disclosed
CN-116917293-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-10-20 — — CN disclosed
WO-2022109161-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-05-27 — — WO disclosed
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 — — US disclosed
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 — — CN disclosed
EP-3756464-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-12-30 — — EP disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 — — US disclosed
EP-3700897-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2020-09-02 — — EP disclosed
WO-2018111904-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2018-06-21 — — WO disclosed
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2018-06-14 — — US disclosed
CN-108064223-A FXR (NR1H4) modulating compound of hydroxyl 吉利德科学公司 2018-05-22 — — CN disclosed
WO-2017191105-A1 AMIDE-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 — — WO disclosed
WO-2017191112-A1 FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 — — WO disclosed
EP-3233850-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2017-10-25 — — EP disclosed
US-9751874-B2 Hydroxy containing FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2017-09-05 — — US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 — — US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 — — WO disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 — — US 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 (6 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-20240025917-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 KMT2A 1751/4885SMN1; SMN2 4669/4885HTT 3727/4885
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 KMT2A 3137/4885SMN1; SMN2 3601/4885HTT 267/4885
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF GLS, TNNI3, CYP11B2 KMT2A 4318/4885SMN1; SMN2 4627/4885HTT 1862/4885
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 KMT2A 4011/4885SMN1; SMN2 3626/4885HTT 3681/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 KMT2A 4011/4885SMN1; SMN2 3626/4885HTT 3681/4885
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 KMT2A 2491/4885SMN1; SMN2 4830/4885HTT 757/4885

“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.