SCHEMBL4552823

SCHEMBL4552823

O=Cc1ccc(-c2ccc(Cl)cc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ERN1 O75460 10/20 0.45
KIF11 P52732 1/20 0.42
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.40
ALOX5 P09917 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
SCHEMBL21199864 0.86 ERN1 (0.45) ERN1KIF11ESR1ESR2
SCHEMBL2774294 0.84 KIF11 (0.44) ERN1KIF11ESR1ESR2KDM4E
SCHEMBL29828302 0.84 ERN1 (0.46) ERN1KIF11ESR1ESR2
SCHEMBL155661 0.84 TDP1 (0.61) TDP1ERN1HSD17B10MAPTSMN1; SMN2
SCHEMBL1591812 0.82 ERN1 (0.46) TDP1ERN1KIF11ESR1ESR2
SCHEMBL30740933 0.82 ERN1 (0.46) TDP1ERN1KIF11ESR1ESR2
SCHEMBL22459322 0.82 KIF11 (0.61) ERN1KIF11ESR1ESR2KDM4E
SCHEMBL4897461 0.81 ESR1 (0.51) ERN1KIF11ESR1ESR2
SCHEMBL13581121 0.80 TYR (0.50) ERN1KIF11ESR1ESR2
SCHEMBL609449 0.80 TDP1 (0.69) TDP1ERN1HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420646-B2 Tricyclic tetrahydroquinoline antibacterial agents PAH P&U LLC (US) 2013-04-16 US disclosed
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-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents PHARMACIA & UPJOHN COMPANY 2011-04-21 US disclosed
EP-1551849-B1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2010-07-14 EP disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US 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
US-7605157-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2009-10-20 US disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2007-07-12 US disclosed
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2007-07-12 US disclosed
US-7208490-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2007-04-24 US disclosed
US-7208490-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2007-04-24 US disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 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 (3 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-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents QTRT1, QTRT2, NQO2 TDP1 1527/4885ERN1 1952/4885KIF11 3921/4885
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 TDP1 1527/4885ERN1 1952/4885KIF11 3921/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 TDP1 1527/4885ERN1 1952/4885KIF11 3921/4885

“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.