SCHEMBL6500635

SCHEMBL6500635

CCCCCC(=O)Nc1cnc2ccccc2c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 2/20 0.56
GLA P06280 2/20 0.56
MAPK1 P28482 2/20 0.56
LMNA P02545 2/20 0.52
CETP P11597 2/20 0.50
SOAT1 P35610 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DEGS1 O15121 1/20 0.49
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 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
SCHEMBL31580824 0.92 MAPK1 (0.51) EP300ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6499707 0.84 GAA (0.52) EP300ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6489167 0.83 GLA (0.54) EP300ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL671016 0.82 ALDH1A1 (0.54) EP300ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29642061 0.82 ALDH1A1 (0.54) EP300ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6501641 0.81 ALDH1A1 (0.47) EP300ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6499469 0.81 GLA (0.48) EP300ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25689106 0.81 RAB9A (0.47) EP300ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30623717 0.79 BCHE (0.46) EP300ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2706300 0.79 LMNA (0.47) ALDH1A1KDM4EHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908932-B2 Cancer therapy ICONIX PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
US-20030149074-A1 Modulators of phosphoinositide 3-kinase ENTELOS HOLDING CORP. 2003-08-07 US disclosed
WO-2003035618-A2 MODULATORS OF PHOSPHOINOSITIDE 3-KINASE ICONIX PHARMACEUTICALS, INC. (US) 2003-05-01 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 (1 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-20030149074-A1 Modulators of phosphoinositide 3-kinase PIK3R1, PIK3R3, PIK3R4 EP300 481/4885ALDH1A1 4006/4885KDM4E 2859/4885

“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.