SCHEMBL3489869

SCHEMBL3489869

COc1ccc(-c2cccc([N+](=O)[O-])c2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
APP P05067 1/20 0.47
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
G6PD P11413 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL3491442 0.85 NPC1 (0.58) NPC1SMN1; SMN2RAB9AKMT2AMAPT
SCHEMBL2961408 0.84 ALDH1A1 (0.65) HTR7NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL28233631 0.83 HTR7 (0.52) HTR7NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL1251652 0.80 TDP1 (0.69) NPC1SMN1; SMN2RAB9AKMT2AMAPT
SCHEMBL6319062 0.80 ABL1 (0.57) NPC1SMN1; SMN2RAB9AKMT2AMAPT
SCHEMBL13403198 0.79 PTGS2 (0.51) ALDH1A1TDP1
SCHEMBL28185641 0.79 APP (0.47) HTR7NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL29676476 0.78 APP (0.57) HTR7NPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL8519148 0.78 S100A4 (0.55) SMN1; SMN2KMT2AMAPTTP53TSHR
SCHEMBL22233986 0.77 CTSB (0.51) HTR7NPC1SMN1; SMN2RAB9AKMT2A

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 HTR7 1123/4885NPC1 2467/4885SMN1; SMN2 3258/4885

“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.