SCHEMBL2996043

SCHEMBL2996043

CCC1=C(C)N(CC)C(C)=CC1c1ccc([N+](=O)[O-])cc1OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 5/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL5537883 0.80 LMNA (0.41) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL5534649 0.75 CACNA1D (0.39) ALDH1A1KMT2ALMNATDP1MAPT
SCHEMBL3003408 0.74 MAPT (0.41) KMT2AMAPTMEN1
SCHEMBL10469171 0.69 CYP1A2 (0.58) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL4162538 0.67 HTT (0.64) HTTALDH1A1KMT2APKMLMNA
SCHEMBL8973475 0.64 TDP1 (0.62) HTTALDH1A1KMT2ALMNATDP1
SCHEMBL265440 0.64 HTT (0.68) HTTALDH1A1KMT2APKMLMNA
SCHEMBL830119 0.63 HTT (0.54) HTTALDH1A1KMT2APKMLMNA
SCHEMBL527567 0.63 HTT (0.72) HTTALDH1A1KMT2APKMLMNA
SCHEMBL29441283 0.63 HTT (0.72) HTTALDH1A1KMT2APKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 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 (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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HTT 259/4885ALDH1A1 274/4885KMT2A 2146/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HTT 259/4885ALDH1A1 274/4885KMT2A 2146/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HTT 259/4885ALDH1A1 274/4885KMT2A 2146/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HTT 259/4885ALDH1A1 274/4885KMT2A 2146/4885

“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.