SCHEMBL3491442

SCHEMBL3491442

COc1cccc(-c2cccc([N+](=O)[O-])c2N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.58
▸ CASP3 P42574 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ SENP7 Q9BQF6 1/20 0.58
▸ FBP1 P09467 2/20 0.48
▸ TDO2 P48775 1/20 0.46
▸ EIF4E P06730 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ LMNA P02545 3/20 0.43

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
SCHEMBL7555581 0.90 NPC1 (0.51) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL30785680 0.87 NPC1 (0.70) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL2957169 0.87 NPC1 (0.70) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL3489869 0.85 HTR7 (0.51) NPC1CASP3RAB9ASENP7EIF4E
SCHEMBL27292647 0.84 RAB9A (0.60) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL18439916 0.84 NPC1 (0.51) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL28019722 0.81 NPC1 (0.56) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL18438030 0.80 RAB9A (0.49) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL18474450 0.79 RAB9A (0.46) NPC1CASP3RAB9ASENP7TDO2
SCHEMBL29655122 0.78 TDP1 (0.65) NPC1CASP3RAB9ASENP7FBP1

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 — — US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 — — US disclosed
US-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 — — US disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 — — WO 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A NPC1 2467/4885CASP3 2364/4885RAB9A 979/4885

“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.

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