SCHEMBL9970046

SCHEMBL9970046

CN1CC[C@@H](NC(=O)Cc2cc3ccccc3o2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 2/20 0.43
PREP P48147 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.39
SMYD3 Q9H7B4 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
Trifluoroacetic Acid SCHEMBL2066792 0.94 GID4 (0.41) GID4PREPKDM4EMEN1NPC1
SCHEMBL9970056 0.86 GID4 (0.43) GID4SMYD3
SCHEMBL9970051 0.84 GID4 (0.54) GID4MEN1KMT2AHSD17B10
SCHEMBL9970052 0.83 GID4 (0.46) GID4SMYD3
Trifluoroacetic Acid SCHEMBL2066503 0.81 GID4 (0.41) GID4SMYD3
SCHEMBL9970062 0.80 LMNA (0.51) GID4SMYD3
SCHEMBL9970027 0.80 GID4 (0.44) GID4SMYD3
SCHEMBL9970047 0.80 NPC1 (0.56) GID4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9970065 0.80 SIGMAR1 (0.51) GID4
SCHEMBL9970049 0.80 GID4 (0.45) GID4SMYD3

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 11 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-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
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

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 3978/4885PREP 4270/4885KDM4E 1186/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 GID4 3978/4885PREP 4270/4885KDM4E 1186/4885

“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.