SCHEMBL12371178

SCHEMBL12371178

Nc1cc(Cc2cccc([N+](=O)[O-])c2)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
LMNA P02545 4/20 0.47
ADORA2A P29274 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP19A1 P11511 1/20 0.44
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCNT1 O60563 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 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
SCHEMBL29174586 0.84 POLB (0.49) TSHRMAPTALDH1A1TDP1CCNE2
SCHEMBL27768325 0.80 LMNA (0.53) TSHRLMNAADORA2AMAPTALDH1A1
SCHEMBL10918542 0.77 TSHR (0.71) TSHRLMNAMAPTALDH1A1CYP19A1
SCHEMBL956156 0.75 CDC7 (0.43) TSHRALDH1A1PARP1TDP1CDK2
SCHEMBL18148766 0.75 MPO (0.47) IDO1
SCHEMBL27768385 0.75 LMNA (0.60) LMNAADORA2AMAPTALDH1A1KDM4E
SCHEMBL22636363 0.74 TAAR1 (0.50) ADORA2AMEN1KMT2AIDO1
SCHEMBL27697197 0.74 CYP19A1 (0.49) TSHRLMNAADORA2AALDH1A1CYP19A1
SCHEMBL4275204 0.74 TSHR (0.48) TSHRLMNAADORA2AMAPTALDH1A1
SCHEMBL16746855 0.74 MPO (0.48)

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 3 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-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 TSHR 1739/4885LMNA 2858/4885ADORA2A 2554/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 TSHR 1739/4885LMNA 2858/4885ADORA2A 2554/4885

“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.