SCHEMBL3487592

SCHEMBL3487592

COc1cc(Oc2ccc([N+](=O)[O-])c(CNC(=O)O)c2)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.40
PTPN1 P18031 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3487595 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL1GAANPSR1SMN1; SMN2
SCHEMBL3488427 0.88 PTPN1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3488422 0.88 PTPN1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3488697 0.88 KMT2A (0.44) ALDH1A1L3MBTL1GAASMN1; SMN2NPC1
SCHEMBL3488700 0.88 KMT2A (0.44) ALDH1A1L3MBTL1GAASMN1; SMN2NPC1
SCHEMBL3489728 0.85 PTPN1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3487476 0.85 MEN1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3487468 0.85 MEN1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3489725 0.85 PTPN1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3488709 0.84 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1NPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 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 (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-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA ALDH1A1 698/4885L3MBTL1 2253/4885GAA 649/4885

“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.