SCHEMBL4923429

SCHEMBL4923429

CCOC(=O)C(c1ccccc1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KMT2A Q03164 4/20 0.42
GPR119 Q8TDV5 1/20 0.42
CSF1R P07333 1/20 0.42
ALOX15 P16050 3/20 0.42
F9 P00740 3/20 0.42
GAA P10253 2/20 0.41
PTGS2 P35354 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL658905 0.79 F9 (0.43) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL18269212 0.75 MLKL (0.57) ALDH1A1HPGDCYP1A2OPRM1OPRD1
SCHEMBL1479955 0.74 ALDH1A1 (0.44) ALDH1A1OPRM1OPRD1CTDSP1KMT2A
SCHEMBL4148785 0.74 MAPT (0.42) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL19863782 0.72 CYP1A2 (0.39) ALDH1A1HPGDCYP1A2OPRM1OPRD1
SCHEMBL586819 0.72 GAA (0.46) ALDH1A1HPGDCYP1A2KMT2AGAA
SCHEMBL4826538 0.72 GAA (0.46) ALDH1A1HPGDCYP1A2KMT2AGAA
SCHEMBL4163922 0.72 AAK1 (0.54) OPRM1OPRD1CTDSP1
SCHEMBL2302338 0.71 PRKCZ (0.46) CYP1A2CYP2C19KMT2AF9GAA
SCHEMBL5103570 0.71 HRH1 (0.44) ALDH1A1HPGDCYP1A2KMT2AF9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
US-20050272792-A1 Benzimidazoles, process for their preparation and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 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-20050272792-A1 Benzimidazoles, process for their preparation and use thereof as medicament CYP2C19, CYP3A4, CYP2B6 ALDH1A1 117/4885HPGD 3542/4885CYP1A2 15/4885
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT CYP2C19, CYP3A4, CYP2B6 ALDH1A1 117/4885HPGD 3542/4885CYP1A2 15/4885

“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.