SCHEMBL617000

SCHEMBL617000

c1cncc(P(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP2A6 P11509 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 2/20 0.50
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APP P05067 1/20 0.39

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
SCHEMBL30319508 1.00 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP3A4CYP1A2CFTR
SCHEMBL15652709 0.97 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP3A4CYP1A2CFTR
SCHEMBL25620250 0.93 CYP3A4 (0.57) ALDH1A1CYP2A6CYP3A4CYP1A2CFTR
SCHEMBL617213 0.93 CYP3A4 (0.57) ALDH1A1CYP2A6CYP3A4CYP1A2CFTR
SCHEMBL9623856 0.85 ALDH1A1 (0.42) ALDH1A1CYP2A6CYP3A4CYP1A2TDP1
SCHEMBL19797424 0.82 TDP1 (0.44) ALDH1A1CYP2A6CYP3A4CYP1A2CFTR
SCHEMBL9624369 0.82 CYP19A1 (0.47) ALDH1A1CYP3A4CYP1A2KDM4EALOX15
SCHEMBL9624006 0.80 KMT2A (0.47) ALDH1A1CYP3A4CYP1A2KDM4EMAPT
SCHEMBL12620100 0.79
SCHEMBL29143382 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311793-B Catalyst and process for producing aldehyde 伊士曼化工公司 2022-03-22 CN claimed
EP-3475252-B1 CATALYSTS AND PROCESSES FOR PRODUCING ALDEHYDES EASTMAN CHEM CO (US) 2021-04-14 EP claimed
EP-2855413-B1 CATALYSTS AND PROCESSES FOR PREPARING ALDEHYDES EASTMAN CHEM CO (US) 2018-07-25 EP claimed
EP-2855412-B1 CATALYSTS AND PROCESS FOR PRODUCING ALDEHYDES EASTMAN CHEM CO (US) 2018-04-18 EP claimed
EP-2855414-B1 CATALYST AND METHOD HAVING IMPROVED SELECTIVITY TO ISOBUTYRALDEHYDE VIA CATLAYST INDUCTION EASTMAN CHEM CO (US) 2017-03-29 EP claimed
EP-4155288-B1 METHOD FOR IMPROVED CONTROL OF ISOMERIC RATIOS IN HYDROFORMYLATIONS OXEA GMBH (DE) 2026-04-08 EP disclosed
WO-2024103456-A1 CATALYST FOR HYDROFORMYLATION OF OLEFINS, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国海洋石油集团有限公司 2024-05-23 WO disclosed
US-11981688-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2024-05-14 US disclosed
US-11981687-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2024-05-14 US disclosed
EP-4361128-A2 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2024-05-01 EP disclosed
CN-117916216-A Method for improving control of isomer ratio in hydroformylation reactions OQ化学有限责任公司 2024-04-19 CN disclosed
EP-3880681-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2024-03-13 EP disclosed
EP-1257531-A2 METHOD FOR THE PREPARATION OF CARBOTHIOIC ACIDS Abbott Laboratories (US) 2002-11-20 EP disclosed
US-20020133032-A1 Method for the preparation of fluticasone and related 17beta-carbothioic esters using a novel carbothioic acid synthesis and novel purification methods ABBOTT LABORATORIES 2002-09-19 US disclosed
US-20020091107-A1 Oxazolidinone antibacterial agents ABBOTT LABORATORIES 2002-07-11 US disclosed
WO-2002032919-A2 6-O-SUBSTITUTED ERYTHROMYCIN DERIVATIVES HAVING IMPROVED GASTROINTESTINAL TOLERANCE ABBOTT LABORATORIES (US) 2002-04-25 WO disclosed
WO-2002020515-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2002-03-14 WO disclosed
WO-2001077134-A2 PROCESS FOR THE PREPARATION OF 6-O-PROPARGYL ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 2001-10-18 WO disclosed
WO-2001062722-A2 METHOD FOR THE PREPARATION OF FLUTICASONE AND RELATED 17BETA-CARBOTHIOIC ESTERS USING A NOVEL CARBOTHIOIC ACID SYNTHESIS AND NOVEL PURIFICATION METHODS ABBOTT LABORATORIES (US) 2001-08-30 WO disclosed
WO-1996017856-A1 SYNTHESIS OF BIDENTATE PHOSPHINES GRIFFITH UNIVERSITY (AU) 1996-06-13 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 (4 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-11981687-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 ALDH1A1 2186/4885CYP2A6 189/4885CYP3A4 40/4885
US-11981688-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 ALDH1A1 2186/4885CYP2A6 189/4885CYP3A4 40/4885
US-20020133032-A1 Method for the preparation of fluticasone and related 17beta-carbothioic esters using a novel carbothioic acid synthesis and novel purification methods HSD17B7, CYP17A1, NR5A1 ALDH1A1 1653/4885CYP2A6 82/4885CYP3A4 148/4885
US-20020091107-A1 Oxazolidinone antibacterial agents OXA1L, TOP1, MT-ND1 ALDH1A1 297/4885CYP2A6 901/4885CYP3A4 816/4885

“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.