SCHEMBL21459919

SCHEMBL21459919

CC(C)(C)OC(=O)N(C(=O)O)c1c(Cl)cc(Br)c(F)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.34
▸ SSTR4 P31391 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NR1D1 P20393 2/20 0.30
▸ NR1H3 Q13133 1/20 0.30

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
SCHEMBL19776245 0.95 KCNH2 (0.35) KCNH2SSTR4ALDH1A1
SCHEMBL28724510 0.86 KCNH2 (0.32) KCNH2SSTR4ALDH1A1
SCHEMBL22684294 0.85 KCNH2 (0.35) KCNH2SSTR4NR1D1
SCHEMBL19782960 0.83 MAPT (0.33) KCNH2SSTR4ALDH1A1NR1D1NR1H3
SCHEMBL21874611 0.80 LMNA (0.32) ALDH1A1CYP1A2CYP2D6CYP2C19NR1D1
SCHEMBL30039558 0.80 KCNH2 (0.36) KCNH2SSTR4ALDH1A1
SCHEMBL28458792 0.80 KCNH2 (0.36) KCNH2SSTR4ALDH1A1
SCHEMBL21459869 0.78 LMNA (0.37) KCNH2ALDH1A1NR1D1NR1H3
SCHEMBL30059621 0.76 SSTR4 (0.39) KCNH2SSTR4ALDH1A1NR1D1
SCHEMBL23013905 0.75 PTGER4 (0.34) KCNH2ALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 — — 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-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 KCNH2 2715/4885SSTR4 392/4885ALDH1A1 2845/4885

“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.

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