SCHEMBL7122049

SCHEMBL7122049

COc1ccc(NC2CCN(CC(=O)N(Cc3cccc4ccccc34)c3ccc4c(c3)nc(CCc3ccc(C(=N)N)cc3)n4C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.45
ALDH1A1 P00352 1/20 0.39
NTRK1 P04629 3/20 0.39
NTRK2 Q16620 3/20 0.39
RAD52 P43351 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7118128 0.94 F2 (0.49) F2
SCHEMBL7115903 0.93 F2 (0.46) F2
SCHEMBL7121452 0.93 F2 (0.46) F2
SCHEMBL7120411 0.93 F2 (0.46) F2
SCHEMBL7115905 0.93 F2 (0.44) F2
SCHEMBL7121020 0.93 F2 (0.46) F2ALDH1A1NTRK1NTRK2
SCHEMBL7124406 0.93 F2 (0.47) F2
SCHEMBL7117072 0.92 F2 (0.46) F2
SCHEMBL7114667 0.90 F2 (0.45) F2NTRK1NTRK2
SCHEMBL7124457 0.89 F2 (0.45) F2

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-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US claimed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 US claimed
WO-2003028762-A1 NOVEL ANTIMICROBIAL RESISTANCE BLOCKING COMPOSITIONS ETHICON, INC. (US) 2003-04-10 WO claimed
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 F2 764/4885ALDH1A1 361/4885NTRK1 2967/4885

“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.