SCHEMBL18267802

SCHEMBL18267802

Cc1ncc([N+](=O)[O-])n1CC(CCl)OC(=O)CBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.61
MAPK1 P28482 2/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48
GLA P06280 1/20 0.47
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 3/20 0.41
ERBB2 P04626 3/20 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
SCHEMBL28774116 0.87 CHRM1 (0.65) CHRM1MAPK1ATMALDH1A1LMNA
SCHEMBL31448036 0.78 CHRM1 (0.73) CHRM1MAPK1ATMALDH1A1LMNA
SCHEMBL28602047 0.77 CHRM1 (0.52) CHRM1MAPK1ATMALDH1A1LMNA
Ornidazole SCHEMBL15158378 0.76 CHRM1 (1.00) CHRM1MAPK1ATMALDH1A1LMNA
Ornidazole SCHEMBL15158379 0.76 CHRM1 (1.00) CHRM1MAPK1ATMALDH1A1LMNA
Ornidazole SCHEMBL43039 0.76 CHRM1 (1.00) CHRM1MAPK1ATMALDH1A1LMNA
SCHEMBL16367357 0.76 MAPK1 (0.60) CHRM1MAPK1ATMALDH1A1LMNA
Ornidazole SCHEMBL22773516 0.75 CHRM1 (0.97) CHRM1MAPK1ATMALDH1A1LMNA
Ornidazole SCHEMBL28736392 0.75 CHRM1 (0.97) CHRM1MAPK1ATMALDH1A1LMNA
Ornidazole SCHEMBL28751635 0.75 CHRM1 (0.97) CHRM1MAPK1ATMALDH1A1LMNA

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-20220288086-A1 TREATMENT FOR BACTERIAL INFECTION VYOME THERAPEUTICS LIMITED (IN) 2022-09-15 US disclosed
US-20160346294-A1 TREATMENTS FOR RESISTANT ACNE VYOME BIOSCIENCES PVT. LTD. (IN) 2016-12-01 US disclosed
US-20160346294-A1 TREATMENTS FOR RESISTANT ACNE VYOME BIOSCIENCES PVT. LTD. (IN) 2016-12-01 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-20220288086-A1 TREATMENT FOR BACTERIAL INFECTION ELANE, CFTR, TLR5 CHRM1 4822/4885MAPK1 2754/4885ATM 2133/4885
US-20160346294-A1 TREATMENTS FOR RESISTANT ACNE CUTA, RARB, RARG CHRM1 4875/4885MAPK1 1903/4885ATM 1660/4885

“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.