SCHEMBL7122891

SCHEMBL7122891

CN(C(=O)CN1CCC(Nc2ccccc2Br)CC1)c1ccc2c(c1)nc(CCc1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.49
HDAC1 Q13547 3/20 0.39
KCNH2 Q12809 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 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
SCHEMBL7121050 0.92 F2 (0.50) F2HDAC1KCNH2KDM4ENPC1
SCHEMBL7119774 0.92 F2 (0.49) F2HDAC1KCNH2KDM4ENPC1
SCHEMBL7115901 0.92 F2 (0.49) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7113036 0.92 F2 (0.49) F2HDAC6NTRK1
SCHEMBL7222656 0.92 HDAC1 (0.41) F2HDAC1KCNH2HDAC8KDM4E
Hydrochloric Acid SCHEMBL7120836 0.91 F2 (0.49) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7113868 0.90 F2 (0.54) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7113831 0.90 F2 (0.48) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7119853 0.90 F2 (0.47) F2HDAC1KCNH2
SCHEMBL7124480 0.90 F2 (0.50) F2HDAC1

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 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
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 764/4885HDAC1 240/4885KCNH2 1446/4885

“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.