Sugi Predict

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SCHEMBL2990880

SCHEMBL2990880

COc1ccc(C2C(C(=O)OCc3ccccc3)=C(C)Nc3nnnn32)c(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.61
▸ LMNA P02545 4/20 0.60
▸ POLB P06746 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ PKM P14618 1/20 0.57
▸ TSHR P16473 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ THRB P10828 1/20 0.51

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
SCHEMBL3001193 0.95 ALDH1A1 (0.74) ALDH1A1NPSR1LMNAPOLBHSD17B10
SCHEMBL3243338 0.89 ALDH1A1 (0.67) ALDH1A1NPSR1LMNAPOLBHSD17B10
SCHEMBL2997990 0.88 ALDH1A1 (0.62) ALDH1A1NPSR1LMNAPOLBHSD17B10
SCHEMBL3004400 0.87 ALDH1A1 (0.58) ALDH1A1NPSR1LMNAPOLBHSD17B10
SCHEMBL3002849 0.86 ALDH1A1 (0.64) ALDH1A1LMNAPOLBHSD17B10PKM
SCHEMBL3004269 0.86 ALDH1A1 (0.64) ALDH1A1NPSR1LMNAPOLBHSD17B10
SCHEMBL3001260 0.86 ALDH1A1 (0.57) ALDH1A1NPSR1LMNAPOLBHSD17B10
SCHEMBL3006678 0.86 ALDH1A1 (0.61) ALDH1A1NPSR1LMNAPOLBHSD17B10
SCHEMBL3005532 0.84 ALDH1A1 (0.61) ALDH1A1NPSR1LMNAPOLBHSD17B10
SCHEMBL3005539 0.83 PKM (0.65) ALDH1A1NPSR1LMNAPOLBHSD17B10

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 7 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
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 274/4885NPSR1 1278/4885LMNA 738/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885NPSR1 1278/4885LMNA 738/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885NPSR1 1278/4885LMNA 738/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885NPSR1 1278/4885LMNA 738/4885

“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.