SCHEMBL2592052

SCHEMBL2592052

Nc1cc([N+](=O)[O-])cc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TDP1 Q9NUW8 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ ACHE P22303 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL2595243 0.96 TDP1 (0.45) CYP3A4TSHRGPR35MEN1KMT2A
SCHEMBL30503600 0.80 GPR35 (0.44) CYP3A4TSHRGPR35MEN1KMT2A
SCHEMBL2594851 0.80 GPR35 (0.44) CYP3A4TSHRGPR35MEN1KMT2A
SCHEMBL1716137 0.79 ALDH1A1 (0.43) CYP3A4TSHRGPR35MEN1KMT2A
SCHEMBL9671688 0.75 GRIN2D (0.48) CYP3A4TSHRMEN1KMT2ATDP1
SCHEMBL26694532 0.75 ALDH1A1 (0.44) CYP3A4TSHRMEN1KMT2ACYP19A1
SCHEMBL5750687 0.75 KMT2A (0.49) CYP3A4MEN1KMT2ATDP1CYP19A1
SCHEMBL6293854 0.74 L3MBTL1 (0.44) CYP3A4TSHRGPR35MEN1KMT2A
SCHEMBL19255040 0.73 KMT2A (0.48) CYP3A4MEN1KMT2ATDP1CYP19A1
SCHEMBL7677787 0.73 SMN1; SMN2 (0.45) CYP3A4TSHRMEN1KMT2ACYP19A1

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 13 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
US-6960608-B2 Intraocular pressure ALCON, INC. (CH) 2005-11-01 — — US disclosed
EP-1392658-A4 NOVEL FUSED INDAZOLES AND INDOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON INC (CH) 2004-10-13 — — EP disclosed
US-20040106597-A1 Novel fused indazoles and indoles and their use for the treatment of glaucoma NOVARTIS AG (CH) 2004-06-03 — — US disclosed
EP-1392658-A1 NOVEL FUSED INDAZOLES AND INDOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2004-03-03 — — EP disclosed
WO-2002098860-A1 NOVEL FUSED INDAZOLES AND INDOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2002-12-12 — — 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 CYP3A4 4681/4885TSHR 1739/4885GPR35 1970/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 CYP3A4 4681/4885TSHR 1739/4885GPR35 1970/4885
US-20040106597-A1 Novel fused indazoles and indoles and their use for the treatment of glaucoma IDO1, IDO2, GLI1 CYP3A4 1601/4885TSHR 2659/4885GPR35 397/4885

“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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