SCHEMBL7120171

SCHEMBL7120171

Cn1c(CCc2ccc(C#N)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)NCc3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.43
HDAC8 Q9BY41 1/20 0.43
F2 P00734 2/20 0.42
HDAC6 Q9UBN7 2/20 0.39
ITK Q08881 3/20 0.39
TXK P42681 1/20 0.37
RAB9A P51151 1/20 0.37
NTRK1 P04629 4/20 0.37
NTRK2 Q16620 4/20 0.37
HTT P42858 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
SCHEMBL7124405 0.88 F2 (0.57) HDAC1HDAC8F2HDAC6
SCHEMBL7436191 0.87 F2 (0.44) HDAC1HDAC8F2HDAC6ITK
SCHEMBL7115169 0.87 F2 (0.42) HDAC1HDAC8F2HDAC6ITK
SCHEMBL7437334 0.81 F2 (0.41) HDAC1HDAC8F2ITKTXK
SCHEMBL7117041 0.81 KCNH2 (0.41) HDAC1F2ITKRAB9ANTRK1
Hydrochloric Acid SCHEMBL7441346 0.79 F2 (0.54) HDAC1F2HDAC6
SCHEMBL7224825 0.79 F2 (0.57) F2NTRK1NTRK2
SCHEMBL8026604 0.78 F2 (0.47) HDAC1F2HDAC6ITKTXK
Hydrochloric Acid SCHEMBL7440902 0.78 F2 (0.54) HDAC1F2HDAC6
SCHEMBL6160686 0.77 NPC1 (0.44) HDAC1HDAC8F2RAB9ANTRK1

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 2 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

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 HDAC1 240/4885HDAC8 390/4885F2 764/4885

“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.