SCHEMBL7165398

SCHEMBL7165398

OCc1cnc(S)n1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
HTT P42858 1/20 0.61
MAPK1 P28482 2/20 0.59
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.44
TP53 P04637 2/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.41
SRC P12931 1/20 0.41
BRD4 O60885 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL8126668 0.85 MAPK1 (0.54) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL10639259 0.83 POLB (0.49) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL8171565 0.83 POLB (0.46) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL3373963 0.83 POLB (0.63) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL7247406 0.82 XDH (0.46) POLBHTTMAPK1KMT2ATP53
SCHEMBL14005999 0.81 POLB (0.66) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL2733465 0.80 POLB (0.60) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL7195630 0.80 CYP11B1 (0.56) POLBHTTMAPK1KMT2ASRC
SCHEMBL15613780 0.77 POLB (0.44) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL7252343 0.74 MAPK1 (0.40) POLBHTTMAPK1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146228-B1 SUBSTITUTED 2-MERCAPTO-IMIDAZOLES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1988-01-20 EP claimed
US-4584383-A Substituted 2-mercapto-imidazoles and their preparation FARMOS YHTYMA-OY (FI) 1986-04-22 US claimed
EP-0146228-A1 Substituted 2-mercapto-imidazoles and their preparation and use Farmos-Yhtyma Oy (FI) 1985-06-26 EP claimed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 US disclosed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 US disclosed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 EP disclosed
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-06 US disclosed
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-06 US disclosed
WO-2013000267-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 中国科学院上海药物研究所 (CN) 2013-01-03 WO disclosed
WO-2013000108-A1 AZOLE HETEROCYLIC COMPOUNDS, PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国科学院上海药物研究所 (CN) 2013-01-03 WO disclosed
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-05-19 US disclosed
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-05-19 US disclosed
US-6630593-B1 A process for preparing a 1-substituted 5-hydroxymethylimidazole of the formula: wherein R represents alkyl, hydroxyalkyl, allyl, or substituted or unsubstituted arylmethyl or diarylmethyl, comprising the step of reacting a LG CHEM INVESTMENT LTD. (KR) 2003-10-07 US disclosed
EP-1255737-A4 PROCESS FOR PREPARING A 1-SUBSTITUTED 5-HYDROXYMETHYL IMIDAZOLE LG CHEM INVESTMENT LTD (KR) 2003-04-16 EP disclosed
EP-1255737-A1 PROCESS FOR PREPARING A 1-SUBSTITUTED 5-HYDROXYMETHYL IMIDAZOLE LG Chem Investment, Ltd. (KR) 2002-11-13 EP disclosed
WO-2001017974-A1 PROCESS FOR PREPARING A 1-SUBSTITUTED 5-HYDROXYMETHYL IMIDAZOLE LG CHEM INVESTMENT LTD. (KR) 2001-03-15 WO disclosed
US-6140508-A USEFUL IN THE PREPARATION OF FARNESYL-PROTEIN TRANSFERASE INHIBITORS. MERCK & CO., INC. (US) 2000-10-31 US disclosed
EP-0146228-B1 SUBSTITUTED 2-MERCAPTO-IMIDAZOLES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1988-01-20 EP disclosed
US-4584383-A Substituted 2-mercapto-imidazoles and their preparation FARMOS YHTYMA-OY (FI) 1986-04-22 US disclosed
EP-0146228-A1 Substituted 2-mercapto-imidazoles and their preparation and use Farmos-Yhtyma Oy (FI) 1985-06-26 EP 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 (3 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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE PLA2G5, LTA4H, PLA2G4A POLB 3703/4885HTT 3470/4885MAPK1 3816/4885
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 POLB 2063/4885HTT 1887/4885MAPK1 1615/4885
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 POLB 2063/4885HTT 1887/4885MAPK1 1615/4885

“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.