SCHEMBL3139713

SCHEMBL3139713

Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 2/20 0.48
EPHX2 P34913 1/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
PKM P14618 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.43
EGFR P00533 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4164786 0.83 EPHX2 (0.60) LMNAMEN1KMT2APOLBEPHX2
SCHEMBL26388122 0.76 LMNA (0.50) LMNAMEN1KMT2ARAB9APOLB
SCHEMBL34467481 0.76 EPHX2 (0.49) LMNAMEN1KMT2APOLBEPHX2
SCHEMBL34467564 0.76 EPHX2 (0.54) LMNAMEN1KMT2ARAB9APOLB
SCHEMBL27654783 0.76 LMNA (0.56) LMNAMEN1KMT2ARAB9APOLB
SCHEMBL965932 0.76 EPHX2 (0.54) RAB9APOLBEPHX2TSHRMAPT
SCHEMBL234063 0.76 LMNA (0.56) LMNAMEN1KMT2ARAB9APOLB
SCHEMBL3144357 0.76 EPHX2 (0.54) LMNAMEN1KMT2ARAB9APOLB
SCHEMBL10918542 0.75 TSHR (0.71) LMNAMEN1KMT2APOLBTSHR
SCHEMBL13068935 0.75 ACKR3 (0.62) LMNAMEN1KMT2ARAB9AMAPT

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-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
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (4 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 LMNA 2858/4885MEN1 1703/4885KMT2A 3190/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 LMNA 2858/4885MEN1 1703/4885KMT2A 3190/4885
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 LMNA 1094/4885MEN1 3838/4885KMT2A 2419/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 LMNA 1094/4885MEN1 3838/4885KMT2A 2419/4885

“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.