SCHEMBL9944997

SCHEMBL9944997

CNc1cc(Cl)c(C(=O)NCC(C)(F)F)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
CFTR P13569 10/20 0.37
CA12 O43570 6/20 0.36
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
CA3 P07451 6/20 0.36
CA4 P22748 6/20 0.36
CA6 P23280 6/20 0.36
CA5A P35218 6/20 0.36
CA7 P43166 6/20 0.36
CA9 Q16790 6/20 0.36
CA13 Q8N1Q1 6/20 0.36
CA14 Q9ULX7 6/20 0.36
CA5B Q9Y2D0 6/20 0.36
PRKCI P41743 1/20 0.36
LRRK2 Q5S007 1/20 0.35
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9946982 0.88 SPR (0.38) POLBAPEX1CFTRCA12CA1
SCHEMBL30739976 0.77 P2RX7 (0.51) CFTRCA12CA1CA2CA9
SCHEMBL20051338 0.77 P2RX7 (0.51) CFTRCA12CA1CA2CA9
SCHEMBL12495108 0.76 LOXL2 (0.40) POLBAPEX1CA12CA1CA2
SCHEMBL9944999 0.76 KDM4E (0.39) POLBTDP1
SCHEMBL9944992 0.76 PTGES (0.40) CFTR
SCHEMBL9946610 0.72 PTGES (0.50)
SCHEMBL23577708 0.71 GAA (0.51) POLBCFTRPRKCI
SCHEMBL20051344 0.70 P2RX7 (0.38) POLBAPEX1CFTRCA12CA1
SCHEMBL30739680 0.70 P2RX7 (0.38) POLBAPEX1CFTRCA12CA1

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES POLB 2315/4885APEX1 2510/4885CFTR 1466/4885

“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.