SCHEMBL12371194

SCHEMBL12371194

O=[N+]([O-])c1cccc(Oc2nc(Cl)nc3ncccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.53
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
PIN1 Q13526 3/20 0.46
MEN1 O00255 2/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX12 P18054 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSP90AA1 P07900 1/20 0.41
IDO1 P14902 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL2014375 0.82 ABCG2 (0.72) ABCG2LMNAKMT2AALDH1A1MAPT
SCHEMBL15459970 0.77 ABCG2 (0.50) ABCG2LMNAKMT2AALDH1A1MAPT
SCHEMBL1706682 0.77 PIN1 (0.59) ABCG2LMNAKMT2AALDH1A1MAPT
SCHEMBL11375614 0.75 ABCG2 (0.49) ABCG2LMNAKMT2AALDH1A1MAPT
SCHEMBL10334593 0.75 ALDH1A1 (0.49) ABCG2LMNAKMT2AALDH1A1MAPT
SCHEMBL21358342 0.75 PIN1 (0.57) ABCG2LMNAKMT2AALDH1A1MAPT
SCHEMBL12519771 0.75 PIN1 (0.57) ABCG2LMNAKMT2AALDH1A1MAPT
SCHEMBL14914947 0.74 ABCG2 (0.50) ABCG2LMNAKMT2AALDH1A1MAPT
SCHEMBL27871465 0.74 PIN1 (0.46) ABCG2LMNAKMT2AALDH1A1MAPT
SCHEMBL28140787 0.74 ALDH1A1 (0.48) ABCG2LMNAKMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 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 (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-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 ABCG2 1564/4885LMNA 2858/4885KMT2A 3190/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 ABCG2 1564/4885LMNA 2858/4885KMT2A 3190/4885

“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.