SCHEMBL2595243

SCHEMBL2595243

Nc1cc([N+](=O)[O-])cc2c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ CYP3A4 P08684 5/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL2592052 0.96 CYP3A4 (0.44) TDP1POLBAPEX1CASP6CTDSP1
SCHEMBL26694532 0.79 ALDH1A1 (0.44) CYP3A4TSHRCYP19A1ALDH1A1GRIN2D
SCHEMBL30503600 0.76 GPR35 (0.44) TDP1CYP3A4TSHRGPR35CYP19A1
SCHEMBL2594851 0.76 GPR35 (0.44) TDP1CYP3A4TSHRGPR35CYP19A1
SCHEMBL1716137 0.75 ALDH1A1 (0.43) TDP1CYP3A4TSHRGPR35CYP19A1
SCHEMBL11729721 0.75 KMT2A (0.46) TDP1CYP3A4CYP19A1ALDH1A1GRIN2D
SCHEMBL6293854 0.74 L3MBTL1 (0.44) TDP1POLBAPEX1CASP6CTDSP1
SCHEMBL9671688 0.71 GRIN2D (0.48) TDP1POLBAPEX1CASP6CTDSP1
SCHEMBL2245425 0.71 GRIN2D (0.44) TDP1POLBAPEX1CASP6CTDSP1
SCHEMBL5750687 0.71 KMT2A (0.49) TDP1CYP3A4CYP19A1ALDH1A1MEN1

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 8 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-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 (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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 TDP1 2270/4885POLB 2902/4885APEX1 2218/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 TDP1 2270/4885POLB 2902/4885APEX1 2218/4885

“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.

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