SCHEMBL681255

SCHEMBL681255

Cc1cc2[nH]c(=O)n(-c3ccc(N)cc3)c(=O)c2cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 4/20 0.56
TP53 P04637 3/20 0.56
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 3/20 0.50
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HIF1A Q16665 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
GAA P10253 4/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL8737597 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL14417204 0.88 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL1162470 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL328468 0.82 KDM4E (0.49) ALDH1A1KDM4EHPGDLMNATP53
Hydrochloric Acid SCHEMBL251791 0.81 KDM4E (0.48) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL14038322 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL13362573 0.78 FEN1 (0.56) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL13814563 0.78 KDM4E (0.45) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL195280 0.78 P2RY12 (0.54) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL1548586 0.77 TP53 (0.62) ALDH1A1KDM4EHPGDTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088736-A1 [4-(6-HALO-7-Substituted-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS and Forms and Methods Related Thereto PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-12 US disclosed
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-8058284-B2 [4-(6-halo-7-substituted-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-phenyl]-5-chloro-thiophen-2-yl-sulfonylureas and forms and methods related thereto PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20090048216-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
US-20070208045-A1 SUBSTITUTED-(QUINAZOLINYL)PHENYL THIOPHENYL-SULFONYLUREAS, METHODS FOR MAKING AND INTERMEDIATES THEREOF PORTOLA PHARMACEUTICALS, INC. (US) 2007-09-06 US disclosed
US-20070123547-A1 [4-(6-HALO-7-SUBSTITUTED-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS AND FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2007-05-31 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 (5 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-20090048216-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 ALDH1A1 1886/4885KDM4E 4459/4885HPGD 190/4885
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 ALDH1A1 1886/4885KDM4E 4459/4885HPGD 190/4885
US-20070208045-A1 SUBSTITUTED-(QUINAZOLINYL)PHENYL THIOPHENYL-SULFONYLUREAS, METHODS FOR MAKING AND INTERMEDIATES THEREOF P2RY4, P2RY6, P2RY13 ALDH1A1 925/4885KDM4E 1862/4885HPGD 1160/4885
US-20120088736-A1 [4-(6-HALO-7-Substituted-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS and Forms and Methods Related Thereto P2RX7, P2RY1, P2RY6 ALDH1A1 1579/4885KDM4E 3098/4885HPGD 2581/4885
US-20070123547-A1 [4-(6-HALO-7-SUBSTITUTED-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS AND FORMS AND METHODS RELATED THERETO P2RX7, P2RY1, P2RY6 ALDH1A1 1579/4885KDM4E 3098/4885HPGD 2581/4885

“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.