SCHEMBL16102804

SCHEMBL16102804

COc1cc(Cl)c(Cl)cc1CNC(=O)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EPHX2 P34913 2/20 0.54
HPGD P15428 2/20 0.51
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
TSHR P16473 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTR4 Q13639 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
QRFPR Q96P65 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL16117916 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2EPHX2HPGDCHRM1
SCHEMBL21302138 0.85 RXFP1 (0.52) ALDH1A1EPHX2HPGDTSHRRXFP1
SCHEMBL16093821 0.83 RXFP1 (0.55) ALDH1A1EPHX2HPGDTSHRRXFP1
SCHEMBL11399325 0.81 EPHX2 (0.71) ALDH1A1SMN1; SMN2EPHX2HPGDTSHR
SCHEMBL11403472 0.81 HPGD (0.78) ALDH1A1SMN1; SMN2EPHX2HPGDCHRM1
SCHEMBL16117939 0.79 EPHX2 (0.61) ALDH1A1EPHX2HPGDRXFP1CYP1A2
SCHEMBL30642298 0.79 EPHX2 (0.61) ALDH1A1EPHX2HPGDRXFP1CYP1A2
SCHEMBL16093822 0.78 RXFP1 (0.48) ALDH1A1EPHX2HPGDTSHRRXFP1
SCHEMBL4033144 0.77 CHRM1 (0.67) ALDH1A1SMN1; SMN2EPHX2HPGDCHRM1
SCHEMBL31290835 0.76 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2EPHX2HPGDTSHR

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-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 EP disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 EP disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO disclosed
EP-2970121-A1 COVALENT INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-01-20 EP disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
WO-2014152588-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2014-09-25 WO disclosed
WO-2014152588-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2014-09-25 WO disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 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 (6 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-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885SMN1; SMN2 3761/4885EPHX2 1801/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885SMN1; SMN2 3761/4885EPHX2 1801/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885SMN1; SMN2 3761/4885EPHX2 1801/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885SMN1; SMN2 3761/4885EPHX2 1801/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885SMN1; SMN2 3583/4885EPHX2 3016/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885SMN1; SMN2 3761/4885EPHX2 1801/4885

“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.