SCHEMBL7713064

SCHEMBL7713064

CCC(O)Cn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.77
MAPK1 P28482 2/20 0.74
ATM Q13315 1/20 0.74
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
THRB P10828 1/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
GAA P10253 1/20 0.51
GLA P06280 1/20 0.51
KDM4E B2RXH2 1/20 0.48
CA12 O43570 2/20 0.48
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL30174104 0.92 CHRM1 (0.83) CHRM1MAPK1ATMLMNAALDH1A1
SCHEMBL16367305 0.90 CHRM1 (0.75) CHRM1MAPK1ATMLMNAALDH1A1
SCHEMBL16367304 0.90 CHRM1 (0.75) CHRM1MAPK1ATMLMNAALDH1A1
SCHEMBL5369092 0.88 CHRM1 (0.77) CHRM1MAPK1ATMLMNAALDH1A1
SCHEMBL25121459 0.87 CHRM1 (0.75) CHRM1MAPK1ATMLMNAALDH1A1
SCHEMBL16367328 0.87 MAPK1 (0.72) CHRM1MAPK1ATMLMNAALDH1A1
Ornidazole SCHEMBL15158378 0.87 CHRM1 (1.00) CHRM1MAPK1ATMLMNAALDH1A1
Ornidazole SCHEMBL15158379 0.87 CHRM1 (1.00) CHRM1MAPK1ATMLMNAALDH1A1
Ornidazole SCHEMBL43039 0.87 CHRM1 (1.00) CHRM1MAPK1ATMLMNAALDH1A1
SCHEMBL27714481 0.87 CHRM1 (0.75) CHRM1MAPK1ATMLMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
US-6423707-B1 Nitroimidazole ester analogues and therapeutic applications CALIFORNIA PACIFIC MEDICAL CENTER 2002-07-23 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 (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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB CHRM1 3336/4885MAPK1 3155/4885ATM 4802/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO CHRM1 4445/4885MAPK1 4332/4885ATM 2358/4885

“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.