SCHEMBL17382015

SCHEMBL17382015

Cc1nn(CC(=O)N(C)C)c(C)c1C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
NPSR1 Q6W5P4 2/20 0.53
APAF1 O14727 1/20 0.49
GAA P10253 1/20 0.43
POLQ O75417 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.38
GRIN2B Q13224 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL15230043 0.82 APAF1 (0.51) ALDH1A1NPSR1APAF1GAAPOLQ
SCHEMBL2066498 0.82 GAA (0.67) ALDH1A1NPSR1GAAPOLQSMN1; SMN2
SCHEMBL19321643 0.80 NPSR1 (0.48) ALDH1A1NPSR1APAF1GAAPOLQ
SCHEMBL13066493 0.79 ALDH1A1 (1.00) ALDH1A1APAF1GAAPOLBMAPT
SCHEMBL4744968 0.77 ALDH1A1 (0.69) ALDH1A1APAF1GAAPOLBMAPT
SCHEMBL11832157 0.75 NPSR1 (0.43) ALDH1A1NPSR1APAF1GAAPOLQ
SCHEMBL17382011 0.74 ALDH1A1 (0.65) ALDH1A1APAF1GAAPOLBMAPT
SCHEMBL26944228 0.71 ALDH1A1 (0.61) ALDH1A1APAF1GAASMN1; SMN2POLB
SCHEMBL21960820 0.70 NPSR1 (0.49) ALDH1A1NPSR1APAF1GAASMN1; SMN2
SCHEMBL2067893 0.69 NPSR1 (0.44) ALDH1A1NPSR1GAAPOLQSMN1; SMN2

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
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 EP disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 US disclosed
WO-2015196759-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 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-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR ALDH1A1 4598/4885NPSR1 358/4885APAF1 3140/4885

“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.