SCHEMBL4498642

SCHEMBL4498642

CC(C)(C)c1ccc(-c2nnc3c([N+](=O)[O-])cccn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPK1 P28482 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HSD11B1 P28845 2/20 0.40
TDP1 Q9NUW8 4/20 0.38
HTT P42858 3/20 0.38
APEX1 P27695 2/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.35

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
SCHEMBL12510368 0.76 TDP1 (0.44) NPC1RAB9AMAPK1GAASMN1; SMN2
SCHEMBL4490072 0.73 AHR (0.44) NPC1RAB9AMAPK1GAASMN1; SMN2
SCHEMBL12824130 0.70 ALDH1A1 (0.40) NPC1RAB9AMAPK1MAPTMEN1
SCHEMBL12632132 0.68 ALDH1A1 (0.65) NPC1RAB9AMAPK1GAASMN1; SMN2
SCHEMBL12914304 0.68 RXRA (0.42) MEN1KMT2AALDH1A1HSD11B1TDP1
SCHEMBL9098211 0.66 ATP4A (0.46) NPC1RAB9AMAPK1SMN1; SMN2MAPT
SCHEMBL9844335 0.64 GAA (0.49) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL19917039 0.63 HSD11B1 (0.50) NPC1RAB9AMAPK1GAAALDH1A1
SCHEMBL4173734 0.63 MEN1 (0.70) NPC1RAB9AMAPK1GAASMN1; SMN2
SCHEMBL15848042 0.62 NPC1 (0.47) NPC1RAB9AMAPK1GAASMN1; SMN2

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 NPC1 3818/4885RAB9A 3912/4885MAPK1 3047/4885

“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.