SCHEMBL1125082

SCHEMBL1125082

COc1ccc(Oc2cccc(C(=O)c3cccc(C(F)(F)F)c3N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAOB P27338 1/20 0.46
STS P08842 3/20 0.44
RAF1 P04049 2/20 0.44
PARP14 Q460N5 2/20 0.43
PARP10 Q53GL7 2/20 0.43
TNKS O95271 1/20 0.43
PARP15 Q460N3 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
MAPK10 P53779 3/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK8 P45983 1/20 0.41

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
SCHEMBL3509598 0.92 MAPT (0.54) MAPTRXFP1MAOBSTSRAB9A
SCHEMBL1125076 0.87 MAOB (0.46) MAPTRXFP1MAOBSTSRAF1
SCHEMBL1124561 0.78 MAOB (0.54) MAPTRXFP1MAOBSTSRAB9A
SCHEMBL15608407 0.77 POLB (0.54) MAPTRXFP1RAB9APARP1SMN1; SMN2
SCHEMBL3507106 0.76 MAPT (0.50) MAPTRXFP1RAB9ANPC1LMNA
SCHEMBL35010 0.76 HSD17B1 (0.48) STSPARP1ALDH1A1
SCHEMBL1124058 0.75 MAPT (0.53) MAPTLMNAGAAALDH1A1
SCHEMBL15628231 0.75 PARP1 (0.54) MAPTSTSRAB9ANPC1LMNA
SCHEMBL30055559 0.73 AKR1C3 (0.57) MAPTMAOBSTSPARP14PARP10
SCHEMBL28347221 0.73 AKR1C3 (0.57) MAPTMAOBSTSPARP14PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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 (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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 MAPT 4520/4885RXFP1 334/4885MAOB 2151/4885

“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.