SCHEMBL3487632

SCHEMBL3487632

O=C(O)NCc1cc(Oc2cccc(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FFAR1 O14842 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 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
SCHEMBL3487627 1.00 RAB9A (0.46) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3489725 0.86 PTPN1 (0.46) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3487452 0.86 SIRT5 (0.53) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3489728 0.86 PTPN1 (0.46) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3487457 0.86 SIRT5 (0.53) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3487174 0.85 EPAS1 (0.45) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3487168 0.85 EPAS1 (0.45) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3488320 0.84 FFAR1 (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3488317 0.84 FFAR1 (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3489430 0.83 MAPT (0.47) RAB9ANPC1MEN1KMT2AMAPT

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 RAB9A 1582/4885NPC1 147/4885MEN1 4545/4885

“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.