SCHEMBL8030804

SCHEMBL8030804

C=CCN(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL39946 0.78 ESR1 (0.44) S1PR1ESR1CYP1A2KMT2AMEN1
SCHEMBL9818045 0.78 ESR1 (0.44) S1PR1ESR1CYP1A2KMT2AMEN1
SCHEMBL11032897 0.76 CHKA (0.46) S1PR1ESR1CYP1A2KMT2AMEN1
SCHEMBL16371884 0.76 ESR1 (0.43) S1PR1ESR1CYP1A2KMT2AMEN1
Ammonia Solution, Strong SCHEMBL28398668 0.76 ESR1 (0.43) S1PR1ESR1CYP1A2KMT2AMEN1
Water SCHEMBL10786878 0.76 ESR1 (0.43) S1PR1ESR1CYP1A2KMT2AMEN1
SCHEMBL83762 0.76 CHKA (0.46) S1PR1ESR1CYP1A2KMT2AMEN1
Hydrochloric Acid SCHEMBL4050783 0.74 CHKA (0.44) S1PR1ESR1CYP1A2KMT2AMEN1
SCHEMBL8516543 0.74 ESR1 (0.42) S1PR1ESR1CYP1A2KMT2AMEN1
SCHEMBL9279908 0.74 ESR1 (0.42) S1PR1ESR1CYP1A2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4115378-A TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US claimed
US-10570150-B2 6,7-trans cephalosporin-based probes for detecting bacteria expressing a metallo-beta-lactamase THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-02-25 US disclosed
CN-107922430-A 2 substituted benzimidazole, 4 Carbox amide and preparation method and application 中国科学院上海药物研究所 2018-04-17 CN disclosed
CN-106317069-A 2-substituted-benzimidazole-4-formamide compound, preparation method, and application thereof 中国科学院上海药物研究所 2017-01-11 CN disclosed
WO-2016206651-A1 2-SUBSTITUTED BENZIMIDAZOLE-4-CARBOXAMIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2016-12-29 WO disclosed
EP-3094623-A1 6,7-TRANS CEPHALOSPORIN-BASED PROBES FOR DETECTING BACTERIA EXPRESSING A METALLO- -LACTAMASE The Board of Trustees of The Leland Stanford Junior University (US) 2016-11-23 EP disclosed
US-20160333027-A1 6,7-TRANS CEPHALOSPORIN-BASED PROBES FOR DETECTING BACTERIA EXPRESSING A METALLO-BETA-LACTAMASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-11-17 US disclosed
WO-2015109056-A1 6,7-TRANS CEPHALOSPORIN-BASED PROBES FOR DETECTING BACTERIA EXPRESSING A METALLO-β-LACTAMASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-23 WO disclosed
US-6117950-A MODIFIED WITH EPOXY RESIN IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 2000-09-12 US disclosed
US-6037422-A HAVING IMPROVED MECHANICAL PROPERTIES SUCH AS IMPACT RESISTANCE AND BENDING STRENGTH, WHILE MAINTAINING HEAT RESISTANCE AND FIRE RETARDANCY IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 2000-03-14 US disclosed
EP-0424939-B1 Polyarylene sulfide resin compositions IDEMITSU PETROCHEMICAL CO (JP) 1996-04-10 EP disclosed
US-5422211-A Imaging members with trisazo photogenerating materials XEROX CORPORATION (US) 1995-06-06 US disclosed
EP-0424939-A2 Polyarylene sulfide resin compositions IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1991-05-02 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 (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-20160333027-A1 6,7-TRANS CEPHALOSPORIN-BASED PROBES FOR DETECTING BACTERIA EXPRESSING A METALLO-BETA-LACTAMASE CMBL, MGAM, GUSB S1PR1 4767/4885ESR1 2630/4885CYP1A2 1720/4885
US-10570150-B2 6,7-trans cephalosporin-based probes for detecting bacteria expressing a metallo-beta-lactamase CMBL, MGAM, GUSB S1PR1 4760/4885ESR1 2652/4885CYP1A2 1678/4885

“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.