SCHEMBL3006595

SCHEMBL3006595

CCOC(=O)C1=C(C)Nc2nnnn2C1c1cccc(Oc2cccc(C(=O)O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.59
TSHR P16473 1/20 0.59
POLB P06746 2/20 0.57
ALDH1A1 P00352 10/20 0.56
PKM P14618 1/20 0.55
NPSR1 Q6W5P4 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 2/20 0.48
KIF11 P52732 1/20 0.48
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL2995474 0.95 LMNA (0.61) LMNATSHRPOLBALDH1A1PKM
SCHEMBL3004158 0.94 LMNA (0.58) LMNATSHRPOLBALDH1A1PKM
SCHEMBL3241345 0.93 POLB (0.57) LMNATSHRPOLBALDH1A1PKM
SCHEMBL2999806 0.89 POLB (0.69) LMNATSHRPOLBALDH1A1PKM
SCHEMBL2999575 0.87 PKM (0.64) LMNATSHRALDH1A1PKMNPSR1
SCHEMBL2996131 0.86 POLB (0.70) LMNATSHRPOLBALDH1A1PKM
SCHEMBL3005289 0.85 ALDH1A1 (0.71) LMNATSHRPOLBALDH1A1PKM
SCHEMBL2997762 0.82 POLB (0.70) LMNATSHRPOLBALDH1A1PKM
SCHEMBL3003996 0.81 POLB (0.66) LMNATSHRPOLBALDH1A1PKM
SCHEMBL2994188 0.81 PKM (0.66) LMNATSHRALDH1A1PKMNPSR1

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-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
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 LMNA 738/4885TSHR 1570/4885POLB 3337/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R LMNA 738/4885TSHR 1570/4885POLB 3337/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R LMNA 738/4885TSHR 1570/4885POLB 3337/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R LMNA 738/4885TSHR 1570/4885POLB 3337/4885

“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.