SCHEMBL4490072

SCHEMBL4490072

CC(C)(C)c1ccc(-c2nc3c([N+](=O)[O-])cccn3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
DHODH Q02127 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MAPK1 P28482 4/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
APEX1 P27695 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
PARP1 P09874 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
SCHEMBL13709187 0.78 AHR (0.49) AHRTRPV1DHODHNPC1RAB9A
SCHEMBL4498642 0.73 NPC1 (0.43) TRPV1NPC1RAB9AMAPK1GAA
SCHEMBL4492963 0.70 HTR1A (0.46) AHRDHODHRAB9AGAASMN1; SMN2
SCHEMBL4492507 0.70 CYP11B2 (0.44) AHRDHODHNPC1RAB9AGAA
SCHEMBL12632132 0.68 ALDH1A1 (0.65) TRPV1NPC1RAB9AMAPK1GAA
SCHEMBL4173734 0.65 MEN1 (0.70) TRPV1NPC1RAB9AMAPK1GAA
SCHEMBL418954 0.65 RAB9A (0.47) NPC1RAB9AGAAMAPTALDH1A1
SCHEMBL11413315 0.64 THRB (0.46) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4468582 0.63 MEN1 (0.46) TRPV1DHODHNPC1RAB9AMAPK1
SCHEMBL30309531 0.63 JAK2 (0.63) AHRDHODHPARP1JAK2

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-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-30 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-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR AHR 685/4885TRPV1 224/4885DHODH 3214/4885

“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.