SCHEMBL7115169

SCHEMBL7115169

Cn1c(CCc2ccc(C#N)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)CCl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.42
HDAC1 Q13547 4/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
PTGS1 P23219 1/20 0.39
HDAC10 Q969S8 1/20 0.39
NTRK1 P04629 6/20 0.38
NTRK2 Q16620 6/20 0.38
ALOX5AP P20292 4/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
ACSL1 P33121 1/20 0.36

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
SCHEMBL7436191 0.92 F2 (0.44) F2HDAC1HDAC8HDAC6NTRK1
SCHEMBL7120171 0.87 HDAC1 (0.43) F2HDAC1HDAC8HDAC6NTRK1
SCHEMBL7437334 0.86 F2 (0.41) F2HDAC1HDAC8NTRK1NTRK2
SCHEMBL7114656 0.83 HDAC1 (0.40) F2HDAC1HDAC8HDAC3HDAC4
SCHEMBL7117041 0.83 KCNH2 (0.41) F2HDAC1NTRK1NTRK2ALDH1A1
SCHEMBL7116629 0.81 ITK (0.38) F2HDAC1ALDH1A1ACSL1ITK
SCHEMBL7123442 0.81 HDAC1 (0.46) F2HDAC1HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL7427082 0.79 F2 (0.59) F2
SCHEMBL6160686 0.79 NPC1 (0.44) F2HDAC1HDAC8NTRK1NTRK2
Hydrochloric Acid SCHEMBL7438891 0.78 F2 (0.57) 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 3 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 disclosed
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 disclosed
WO-2002062785-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO 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 764/4885HDAC1 240/4885HDAC8 390/4885

“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.