SCHEMBL2363482

SCHEMBL2363482

CN(C(=O)O)[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
NPY2R P49146 1/20 0.46
MAPK1 P28482 2/20 0.43
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PANK3 Q9H999 1/20 0.41
DPP4 P27487 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
SCHEMBL2363483 1.00 MAPT (0.50) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2363484 1.00 MAPT (0.50) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL12265020 0.85 MAPT (0.45) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL12386687 0.85 MAPT (0.45) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2302814 0.81 MAPT (0.43) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2302809 0.81 MAPT (0.43) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL2302817 0.81 MAPT (0.43) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL528904 0.80 MAPT (0.59) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL528903 0.80 MAPT (0.59) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL529400 0.78 MAPT (0.56) MAPTALDH1A1LMNAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 MAPT 2870/4885ALDH1A1 689/4885LMNA 4699/4885

“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.