SCHEMBL1591369

SCHEMBL1591369

O=Cc1c(F)ccc(Cl)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.35
CHRNB2 P17787 1/20 0.35
CYP2B6 P20813 1/20 0.35
MAOA P21397 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
KIF11 P52732 1/20 0.32

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
SCHEMBL7266207 0.86 ALDH1A1 (0.48) NOTUMALDH1A1TDP1MEN1KMT2A
SCHEMBL29775990 0.84 CYP2C9 (0.41) ALDH1A1TDP1MEN1KMT2ACYP2C9
SCHEMBL7266136 0.84 CYP2C9 (0.41) ALDH1A1TDP1MEN1KMT2ACYP2C9
SCHEMBL7272215 0.78 KIF11 (0.43) CYP2C9CYP2D6CYP2C19KIF11
SCHEMBL3089437 0.77 NOTUM (0.38) NOTUMCYP2C9CYP1A2CHRNB2CYP2B6
SCHEMBL3089434 0.77 NOTUM (0.38) NOTUMCYP2C9CYP1A2CHRNB2CYP2B6
SCHEMBL615646 0.75 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2ACYP2C9
SCHEMBL29447959 0.75 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2ACYP2C9
SCHEMBL953875 0.75 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2ACYP2C9
SCHEMBL7273964 0.75 ERN1 (0.39) NOTUMALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP claimed
US-8420646-B2 Tricyclic tetrahydroquinoline antibacterial agents PAH P&U LLC (US) 2013-04-16 US disclosed
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents PHARMACIA & UPJOHN COMPANY 2011-04-21 US disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
EP-1551849-B1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2010-07-14 EP disclosed
EP-2164837-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2010-03-24 EP disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US disclosed
US-7605157-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2009-10-20 US disclosed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 WO disclosed
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2007-07-12 US disclosed
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2004-08-19 US disclosed
WO-2004031195-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-15 WO disclosed
EP-0396987-B1 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1994-06-15 EP disclosed
US-5041683-A Nuclear-fluorinated trifluoromethylbenzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
US-4686217-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-08-11 US disclosed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 EP disclosed
US-4607041-A CARDIOTONIC AGENTS FISONS PLC (GB) 1986-08-19 US disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP disclosed
EP-0169009-A2 Novel dihydropyridine derivatives and their production, formulation and use as pharmaceuticals FISONS plc (GB) 1986-01-22 EP disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP 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-20100227870-A1 Novel Compounds GRM5, GRIK5, GRM1 NOTUM 3054/4885ALDH1A1 3874/4885TDP1 3573/4885
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents QTRT1, QTRT2, NQO2 NOTUM 2571/4885ALDH1A1 1420/4885TDP1 1527/4885
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 NOTUM 2571/4885ALDH1A1 1420/4885TDP1 1527/4885
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 NOTUM 2571/4885ALDH1A1 1420/4885TDP1 1527/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 NOTUM 2571/4885ALDH1A1 1420/4885TDP1 1527/4885

“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.