SCHEMBL6173202

SCHEMBL6173202

O=CC1=CNCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
PARP1 P09874 3/20 0.36
PDPK1 O15530 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
METAP2 P50579 1/20 0.34
MAOA P21397 3/20 0.33
CES1 P23141 2/20 0.33
TDP2 O95551 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
MAP3K14 Q99558 1/20 0.32
MAOB P27338 2/20 0.31
BCHE P06276 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL29952805 1.00 CA12 (0.42) CA12CA9PARP1PDPK1PARP10
SCHEMBL2863342 0.71 HTR6 (0.42) CA12CA9PARP1PDPK1PARP10
SCHEMBL16247863 0.69 CA12 (0.42) CA12CA9PARP1PDPK1PARP10
SCHEMBL2675467 0.68 CA12 (0.41) CA12CA9PARP1MAOACES1
SCHEMBL28793775 0.67 CA12 (0.40) CA12CA9PARP1PDPK1PARP10
SCHEMBL14940557 0.67 CA12 (0.40) CA12CA9PARP1KDM4EALDH1A1
SCHEMBL28300619 0.67 CA12 (0.40) CA12CA9PARP1PDPK1PARP10
SCHEMBL7749803 0.67 CES1 (0.43) PARP1PDPK1PARP10PARP11MAOA
SCHEMBL11841854 0.67 MAOA (0.48) METAP2MAOACES1TDP2CASP3
SCHEMBL29648452 0.67 CES1 (0.43) PARP1PDPK1PARP10PARP11MAOA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023165591-A1 COMPOUNDS AND THEIR USES AS LPAR5 ANTAGONISTS IMMUTHER PHARMATECH (SHANGHAI) CO., LTD. (CN) 2023-09-07 WO disclosed
CN-102445845-A Colored composition for color filter, color filter and method of producing the same, liquid crystal display device, organic electro-luminescence display device, and solid-state imaging element FUJIFILM CORP 2012-05-09 CN disclosed
CN-101124516-B Pattern forming material, pattern forming apparatus, and pattern forming method FUJI PHOTO FILM CO LTD 2012-01-18 CN disclosed
EP-1140904-B1 FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2005-04-20 EP disclosed
US-6800636-B2 FOR THERAPY OF CANCER SCHERING CORPORATION 2004-10-05 US disclosed
US-20030040520-A1 Farnesyl protein transferase inhibitors GUZI TIMOTHY (US) 2003-02-27 US disclosed
US-6362188-B1 ANTICANCER AGENTS SCHERING CORPORATION 2002-03-26 US disclosed
EP-1140904-A1 FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000037458-A1 FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2000-06-29 WO disclosed
WO-1999032485-A1 3-OXAZOL-5-YL-1-OXO-1,2-DIHYDROISOQUINOLINE-4-PROPANAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION SANOFI-SYNTHELABO (FR) 1999-07-01 WO disclosed
CN-1131150-A 3-phenyl isoquinolin-1(2H)-one derivant, its preparation method and medicinal use thereof SYNTHELABO (FR) 1996-09-18 CN 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 (1 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-20030040520-A1 Farnesyl protein transferase inhibitors FNTA, FNTB, CETP CA12 4355/4885CA9 2312/4885PARP1 4251/4885

“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.