SCHEMBL9970051

SCHEMBL9970051

CN1CC[C@@H](NC(=O)Cc2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 2/20 0.54
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
Trifluoroacetic Acid SCHEMBL2067284 0.94 GID4 (0.49) GID4ALDH1A1MAPK1HSD17B10MEN1
SCHEMBL9970065 0.90 SIGMAR1 (0.51) GID4SIGMAR1
SCHEMBL10173880 0.87 GID4 (0.52) GID4MAPK1
Trifluoroacetic Acid SCHEMBL9929832 0.87 SIGMAR1 (0.49) GID4SIGMAR1
SCHEMBL9970052 0.87 GID4 (0.46) GID4
Hydrochloric Acid SCHEMBL2066780 0.87 GID4 (0.51) GID4MAPK1
SCHEMBL9970062 0.87 LMNA (0.51) GID4SIGMAR1
SCHEMBL9970030 0.86 NPC1 (0.54) GID4
SCHEMBL9970056 0.85 GID4 (0.43) GID4
Hydrochloric Acid SCHEMBL2069165 0.85 NPC1 (0.53) 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 3978/4885ALDH1A1 1240/4885MAPK1 1846/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 GID4 3978/4885ALDH1A1 1240/4885MAPK1 1846/4885

“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.