SCHEMBL2999799

SCHEMBL2999799

CC1=C(C(=O)O)C(c2ccccc2-c2ccc(C)o2)n2nnnc2N1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
THRB P10828 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL3250826 0.80 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL3010244 0.78 THRB (0.54) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL3003897 0.78 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL2993898 0.78 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL2992365 0.78 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL4258306 0.78 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL3006646 0.76 NPSR1 (0.57) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL3004302 0.76 KMT2A (0.52) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL3000251 0.75 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL3243875 0.75 MAPT (0.63) ALDH1A1LMNASMN1; SMN2MAPTTP53

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-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
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO 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
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885SMN1; SMN2 1739/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885SMN1; SMN2 1739/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885SMN1; SMN2 1739/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885SMN1; SMN2 1739/4885

“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.