SCHEMBL3487930

SCHEMBL3487930

COc1cc(C)cc(Oc2ccc([N+](=O)[O-])c(CNC(=O)O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ABCB1 P08183 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3487920 1.00 PTPN1 (0.43) PTPN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3487202 0.91 PTPN1 (0.41) PTPN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3487209 0.91 PTPN1 (0.41) PTPN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3488427 0.91 PTPN1 (0.48) PTPN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3488422 0.91 PTPN1 (0.48) PTPN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3489725 0.90 PTPN1 (0.46) PTPN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3489728 0.90 PTPN1 (0.46) PTPN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3489491 0.88 SIRT5 (0.41) PTPN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3489485 0.88 SIRT5 (0.41) PTPN1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3487595 0.84 ALDH1A1 (0.43) PTPN1MEN1KMT2ASMN1; SMN2MAPT

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 PTPN1 1446/4885MEN1 4545/4885KMT2A 2465/4885

“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.