SCHEMBL9970024

SCHEMBL9970024

CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
USP30 Q70CQ3 2/20 0.43
EPHX1 P07099 1/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NLRP3 Q96P20 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.39

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 SCHEMBL2067256 0.99 EPHX2 (0.47) EPHX2USP30EPHX1LMNAMAPT
SCHEMBL2068220 0.93 EPHX1 (0.45) EPHX2EPHX1
Hydrochloric Acid SCHEMBL2069152 0.93 EPHX1 (0.44) EPHX2EPHX1
SCHEMBL2068909 0.91 EPHX1 (0.43) EPHX2EPHX1
SCHEMBL2069268 0.91 EPHX1 (0.43) EPHX2EPHX1
Hydrochloric Acid SCHEMBL2066897 0.90 EPHX1 (0.42) EPHX2EPHX1
Hydrochloric Acid SCHEMBL2067268 0.90 EPHX1 (0.42) EPHX2EPHX1
SCHEMBL2067275 0.89 EPHX1 (0.44) EPHX2EPHX1
SCHEMBL2067887 0.89 EPHX2 (0.45) EPHX2
Hydrochloric Acid SCHEMBL2067756 0.88 EPHX1 (0.44) EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 4587/4885USP30 4188/4885EPHX1 4079/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885USP30 4188/4885EPHX1 4079/4885

“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.