SCHEMBL4285282

SCHEMBL4285282

CC(NC(=O)c1ccc(N)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
NPC1 O15118 2/20 0.71
LMNA P02545 2/20 0.71
ROCK2 O75116 1/20 0.64
RPS6KA5 O75582 1/20 0.64
MAP4K4 O95819 1/20 0.64
CDK1 P06493 1/20 0.64
CSF1R P07333 1/20 0.64
PRKACA P17612 1/20 0.64
FLT1 P17948 1/20 0.64
RPS6KB1 P23443 1/20 0.64
CDK2 P24941 1/20 0.64
MAPK1 P28482 1/20 0.64
AKT1 P31749 1/20 0.64
FLT4 P35916 1/20 0.64
KDR P35968 1/20 0.64
FLT3 P36888 1/20 0.64
GSK3A P49840 1/20 0.64
GSK3B P49841 1/20 0.64
RPS6KA3 P51812 1/20 0.64

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
SCHEMBL10763894 1.00 ALDH1A1 (0.71) ALDH1A1NPC1LMNAROCK2RPS6KA5
SCHEMBL10761711 1.00 ALDH1A1 (0.71) ALDH1A1NPC1LMNAROCK2RPS6KA5
SCHEMBL1101522 0.88 ALDH1A1 (0.77) ALDH1A1NPC1LMNAROCK2RPS6KA5
SCHEMBL5968858 0.88 ALDH1A1 (0.77) ALDH1A1NPC1LMNAROCK2RPS6KA5
SCHEMBL751213 0.88 ALDH1A1 (0.77) ALDH1A1NPC1LMNAROCK2RPS6KA5
SCHEMBL31756926 0.85 ALDH1A1 (0.60) ALDH1A1NPC1LMNAROCK2RPS6KA5
SCHEMBL3756762 0.85 ALDH1A1 (0.73) ALDH1A1NPC1LMNAROCK2RPS6KA5
SCHEMBL3755011 0.85 ALDH1A1 (0.73) ALDH1A1NPC1LMNAROCK2RPS6KA5
SCHEMBL2919150 0.85 ALDH1A1 (0.73) ALDH1A1NPC1LMNAROCK2RPS6KA5
SCHEMBL17369057 0.85 ALDH1A1 (0.73) ALDH1A1NPC1LMNAROCK2RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0158526-B1 IMPROVEMENTS IN OR RELATING TO ANTICONVULSANT AGENTS ELI LILLY AND COMPANY (US) 1987-07-08 EP claimed
EP-0078845-B1 ANTI-CONVULSANT CLARK, Charles Randall (US) 1987-02-04 EP claimed
US-4629740-A ENANTIOMORPHS OF 4-AMINO-N/1-PHENYLETHYL/BENZAMIDE ELI LILLY AND COMPANY (US) 1986-12-16 US claimed
EP-0158526-A1 Improvements in or relating to anticonvulsant agents ELI LILLY AND COMPANY (US) 1985-10-16 EP claimed
EP-0078845-A4 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-09-02 EP claimed
EP-0078845-A1 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-05-18 EP claimed
US-4379165-A Anti-convulsant RESEARCH CORPORATION (US) 1983-04-05 US claimed
WO-1982004046-A1 ANTI-CONVULSANT CLARK CHARLES RANDALL 1982-11-25 WO claimed
US-20090137681-A1 Sirtuin Inhibiting Compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-05-28 US disclosed
WO-2007084162-A2 SIRTUIN INHIBITING COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-26 WO disclosed
EP-0158526-B1 IMPROVEMENTS IN OR RELATING TO ANTICONVULSANT AGENTS ELI LILLY AND COMPANY (US) 1987-07-08 EP disclosed
EP-0078845-B1 ANTI-CONVULSANT CLARK, Charles Randall (US) 1987-02-04 EP disclosed
US-4629740-A ENANTIOMORPHS OF 4-AMINO-N/1-PHENYLETHYL/BENZAMIDE ELI LILLY AND COMPANY (US) 1986-12-16 US disclosed
EP-0158526-A1 Improvements in or relating to anticonvulsant agents ELI LILLY AND COMPANY (US) 1985-10-16 EP disclosed
EP-0078845-A4 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-09-02 EP disclosed
EP-0078845-A1 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-05-18 EP disclosed
US-4379165-A Anti-convulsant RESEARCH CORPORATION (US) 1983-04-05 US disclosed
WO-1982004046-A1 ANTI-CONVULSANT CLARK CHARLES RANDALL 1982-11-25 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-20090137681-A1 Sirtuin Inhibiting Compounds SIRT2, SIRT1, SIRT3 ALDH1A1 3168/4885NPC1 2806/4885LMNA 1961/4885

“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.