SCHEMBL2586412

SCHEMBL2586412

COc1ccc([N+](=O)[O-])cc1CN

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
HTT P42858 4/20 0.60
LCK P06239 1/20 0.54
ALDH1A1 P00352 9/20 0.53
KMT2A Q03164 5/20 0.53
HPGD P15428 4/20 0.53
LMNA P02545 3/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP19A1 P11511 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL5174174 0.87 HTT (0.65) TDP1HTTALDH1A1KMT2ALMNA
SCHEMBL8973475 0.86 TDP1 (0.62) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL8964829 0.86 TDP1 (0.62) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL403267 0.84 TDP1 (0.59) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL3749821 0.83 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL3749823 0.83 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL18216619 0.83 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL4652150 0.83 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL29560265 0.83 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A
SCHEMBL215804 0.83 TDP1 (0.58) TDP1HTTLCKALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20130261295-A1 Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-10-03 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO 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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 TDP1 2270/4885HTT 1049/4885LCK 37/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 TDP1 2270/4885HTT 1049/4885LCK 37/4885
US-20130261295-A1 Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis PCNA, TRIM58, CAD TDP1 4492/4885HTT 1782/4885LCK 131/4885

“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.