SCHEMBL4404101

SCHEMBL4404101

C[Si](C)(C)CCOc1cc([N+](=O)[O-])c(N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 6/20 0.42
MAPT P10636 12/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 5/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4406257 0.84 S1PR4 (0.42) S1PR4MAPTALDH1A1CYP3A4LMNA
SCHEMBL9651865 0.81 MAPT (0.55) S1PR4MAPTALDH1A1CYP3A4LMNA
SCHEMBL20982480 0.80 MAOA (0.44) S1PR4MAPTALDH1A1CYP3A4LMNA
SCHEMBL26930698 0.79 MAPT (0.61) S1PR4MAPTALDH1A1CYP3A4LMNA
SCHEMBL23914959 0.78 MAPT (0.51) S1PR4MAPTALDH1A1CYP3A4LMNA
SCHEMBL26930475 0.78 MAPT (0.56) S1PR4MAPTALDH1A1CYP3A4LMNA
SCHEMBL6161762 0.78 S1PR4 (0.44) S1PR4MAPTALDH1A1CYP3A4LMNA
SCHEMBL20536393 0.76 PIN1 (0.51) S1PR4MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL1291738 0.76 GAA (0.56) MAPTALDH1A1CYP3A4LMNACYP1A2
SCHEMBL6359199 0.76 S1PR4 (0.45) S1PR4MAPTALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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 (1 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 S1PR4 3015/4885MAPT 2606/4885ALDH1A1 178/4885

“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.