SCHEMBL9970027

SCHEMBL9970027

CN1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 2/20 0.44
SMYD3 Q9H7B4 1/20 0.39
FASN P49327 1/20 0.39
USP30 Q70CQ3 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 SCHEMBL2069226 0.99 GID4 (0.44) GID4SMYD3FASNUSP30
SCHEMBL9970051 0.84 GID4 (0.54) GID4
SCHEMBL13962379 0.84 HTR2B (0.38) GID4
SCHEMBL13490549 0.83 GID4 (0.50) GID4SMYD3FASNUSP30
SCHEMBL9970052 0.82 GID4 (0.46) GID4SMYD3FASNUSP30
SCHEMBL9970056 0.81 GID4 (0.43) GID4SMYD3USP30
SCHEMBL9970062 0.81 LMNA (0.51) GID4SMYD3
SCHEMBL9970046 0.80 GID4 (0.43) GID4SMYD3
Trifluoroacetic Acid SCHEMBL2067284 0.80 GID4 (0.49) GID4
SCHEMBL9970065 0.79 SIGMAR1 (0.51) GID4

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 GID4 3978/4885SMYD3 707/4885FASN 2970/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 GID4 3978/4885SMYD3 707/4885FASN 2970/4885

“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.