SCHEMBL2066460

SCHEMBL2066460

CN1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)nc2)C[C@@H]1c1nc2ccc(F)cc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
MLLT1 Q03111 3/20 0.46
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
IDO1 P14902 1/20 0.40

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
Hydrochloric Acid SCHEMBL2069269 0.99 EPHX2 (0.47) EPHX2MLLT1CCNCCDK8IDO1
SCHEMBL2067831 0.92 EPHX2 (0.46) EPHX2MLLT1CCNCCDK8
Hydrochloric Acid SCHEMBL2067464 0.91 EPHX2 (0.46) EPHX2MLLT1CCNCCDK8
SCHEMBL2069263 0.91 EPHX2 (0.48) EPHX2MLLT1CCNCCDK8
Hydrochloric Acid SCHEMBL2067873 0.90 EPHX2 (0.47) EPHX2MLLT1CCNCCDK8
SCHEMBL2066872 0.90 MLLT1 (0.45) MLLT1
SCHEMBL18536590 0.90 EPHX2 (0.49) EPHX2MLLT1CCNCCDK8
SCHEMBL13962125 0.90 EPHX2 (0.49) EPHX2MLLT1CCNCCDK8
SCHEMBL2067558 0.90 EPHX2 (0.49) EPHX2MLLT1CCNCCDK8
Hydrochloric Acid SCHEMBL2069179 0.89 MLLT1 (0.45) MLLT1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
EP-2170860-A2 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2010-04-07 EP disclosed
WO-2009004427-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2009-01-08 WO disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 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 (2 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885MLLT1 1364/4885CCNC 162/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885MLLT1 1364/4885CCNC 162/4885

“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.