SCHEMBL3601387

SCHEMBL3601387

O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(CN(Cc2cccs2)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
PKM P14618 4/20 0.57
STAT3 P40763 6/20 0.56
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.50
MAPK9 P45984 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
POLB P06746 1/20 0.49
NSD2 O96028 1/20 0.48
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48

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
SCHEMBL13316900 0.79 NPC1 (0.54) NPC1RAB9AMEN1KMT2APKM
SCHEMBL20599194 0.77 RAB9A (0.70) NPC1RAB9AMEN1KMT2APKM
SCHEMBL1804666 0.77 NPC1 (0.76) NPC1RAB9AMEN1KMT2APKM
SCHEMBL3607692 0.75 HDAC1 (0.52) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3612223 0.74 HDAC6 (0.83) HDAC1HDAC6POLBTDP1
Tenonitrozole SCHEMBL150446 0.73 NPC1 (1.00) NPC1RAB9AMEN1KMT2APKM
SCHEMBL3601082 0.73 HDAC6 (0.66) NPC1RAB9AMAPTNPSR1HDAC1
SCHEMBL12974167 0.73 NPC1 (0.78) NPC1RAB9AMEN1KMT2APKM
SCHEMBL3611422 0.73 HDAC6 (0.62) NPC1RAB9AKMT2AMAPTNPSR1
SCHEMBL28573896 0.73 STAT3 (1.00) NPC1RAB9AMEN1KMT2APKM

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 NPC1 139/4885RAB9A 601/4885MEN1 116/4885

“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.