Sugi Predict

Sugi Predict / Compounds / SCHEMBL2992328

SCHEMBL2992328

SCHEMBL2992328

CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.65
▸ ALDH1A1 P00352 10/20 0.65
▸ HSD17B10 Q99714 6/20 0.59
▸ HPGD P15428 4/20 0.59
▸ TSHR P16473 1/20 0.59
▸ CASP1 P29466 3/20 0.58
▸ CASP7 P55210 3/20 0.58
▸ GAA P10253 2/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ BAP1 Q92560 1/20 0.56
▸ MAPK1 P28482 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALOX15 P16050 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 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
SCHEMBL3249662 0.89 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4256216 0.88 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL2999620 0.81 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL2990950 0.81 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL10953920 0.80 KDM4E (0.77) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL10704884 0.79 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3004453 0.79 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL2990862 0.79 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3325204 0.79 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL17501871 0.79 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10HPGDTSHR

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 KDM4E 1088/4885ALDH1A1 274/4885HSD17B10 537/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885HSD17B10 537/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885HSD17B10 537/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885HSD17B10 537/4885

“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.