SCHEMBL4465794

SCHEMBL4465794

Cc1cnc2ccc([N+](=O)[O-])cn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 2/20 0.54
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
STAT3 P40763 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL31141900 0.80 CYP1A2 (0.49) CYP1A2CYP2C9ALDH1A1MAPTLMNA
SCHEMBL30218146 0.80 CYP1A2 (0.49) CYP1A2CYP2C9ALDH1A1MAPTLMNA
SCHEMBL17759257 0.78 CYP1A2 (0.46) CYP1A2CYP2C9ALDH1A1MAPTLMNA
SCHEMBL17697709 0.75 CYP1A2 (0.44) CYP1A2CYP2C9ALDH1A1MAPTLMNA
SCHEMBL16691133 0.75 TGFBR1 (0.50) CYP1A2CYP2C9MAPTGAANPC1
SCHEMBL12510329 0.75 ALDH1A1 (0.51) CYP1A2CYP2C9ALDH1A1MAPTLMNA
SCHEMBL16687033 0.74 MAPT (0.43) CYP1A2CYP2C9ALDH1A1MAPTLMNA
SCHEMBL4311317 0.73 MAPT (0.57) CYP1A2CYP2C9ALDH1A1MAPTLMNA
SCHEMBL10238918 0.72 CYP1A2 (0.56) CYP1A2CYP2C9ALDH1A1LMNAGAA
SCHEMBL17754951 0.70 TGFBR1 (0.41) CYP1A2CYP2C9ALDH1A1GAAPOLB

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-20160137640-A1 FIVE-MEMBER-HETEROCYCLE FUSED PYRIDINE COMPOUNDS, METHOD OF PRODUCING THE SAME, AND USE THEREOF SHANGHAI HAIHE PHARMACEUTICAL CO. LTD. (CN) 2016-05-19 US disclosed
US-7504412-B2 Imidazopyridine derivatives BANYU PHARMACEUTICALS, CO., LTD. (JP) 2009-03-17 US disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 EP 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 (2 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-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R CYP1A2 290/4885CYP2C9 658/4885ALDH1A1 1277/4885
US-20160137640-A1 FIVE-MEMBER-HETEROCYCLE FUSED PYRIDINE COMPOUNDS, METHOD OF PRODUCING THE SAME, AND USE THEREOF ABL1, JAK2, LCK CYP1A2 782/4885CYP2C9 388/4885ALDH1A1 2912/4885

“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.