SCHEMBL16099862

SCHEMBL16099862

COc1cc(Cl)c(CBr)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR4 O95977 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9280470 0.94 TDP1 (0.44) TDP1LMNAALDH1A1MAPTKDM4E
SCHEMBL16117975 0.87 LMNA (0.46) TDP1LMNAALDH1A1MAPTKDM4E
SCHEMBL16117976 0.84 LMNA (0.47) TDP1LMNAALDH1A1MAPTKDM4E
SCHEMBL28083185 0.82 ALDH1A1 (0.48) TDP1LMNAALDH1A1MAPTKDM4E
SCHEMBL2595478 0.82 SMN1; SMN2 (0.41) TDP1LMNAALDH1A1MAPTKDM4E
SCHEMBL10983166 0.81 LMNA (0.51) TDP1LMNAALDH1A1MAPTKDM4E
SCHEMBL5208330 0.81 TDP1 (0.44) TDP1LMNAALDH1A1MAPTKDM4E
SCHEMBL16093606 0.81 LMNA (0.41) TDP1LMNAALDH1A1MAPTKDM4E
SCHEMBL8536622 0.80 MERTK (0.51) TDP1LMNAALDH1A1MAPTKDM4E
SCHEMBL31188768 0.80 LMNA (0.54) TDP1LMNAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-105189456-B Covalent inhibitors of KRAS G12C 亚瑞克西斯制药公司 2017-12-19 CN 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 (4 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 TDP1 2744/4885LMNA 3439/4885ALDH1A1 2706/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TDP1 2744/4885LMNA 3439/4885ALDH1A1 2706/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TDP1 2744/4885LMNA 3439/4885ALDH1A1 2706/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS TDP1 1694/4885LMNA 3223/4885ALDH1A1 1577/4885

“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.