SCHEMBL965949

SCHEMBL965949

Cc1nn(C)c(-n2ccc3ccc(OCc4ccccc4)cc32)c1C=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTR7 P34969 1/20 0.43
SRD5A2 P31213 1/20 0.42
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41
MCHR1 Q99705 4/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40
KCNH2 Q12809 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 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
SCHEMBL963158 0.88 PTGER3 (0.47) NPC1RAB9AMEN1KMT2AHTR7
SCHEMBL963155 0.88 PTGER3 (0.47) NPC1RAB9AMEN1KMT2AHTR7
SCHEMBL966157 0.85 SRD5A2 (0.41) NPC1RAB9AMEN1KMT2AHTR7
SCHEMBL966158 0.85 SRD5A2 (0.41) NPC1RAB9AMEN1KMT2AHTR7
SCHEMBL966155 0.85 MEN1 (0.44) NPC1RAB9AMEN1KMT2AHTR7
SCHEMBL967700 0.83 ROCK1 (0.44) MEN1KMT2AROCK1DYRK1ASMN1; SMN2
SCHEMBL965421 0.78 PTGER4 (0.38) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL965423 0.78 PTGER4 (0.38) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL965856 0.78 HTT (0.40) NPC1RAB9AROCK1SMN1; SMN2L3MBTL1
SCHEMBL966593 0.76 CDC7 (0.40) HTR7ROCK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 NPC1 441/4885RAB9A 2378/4885MEN1 1234/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPC1 1538/4885RAB9A 2322/4885MEN1 4766/4885

“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.