SCHEMBL1758595

SCHEMBL1758595

Cc1ccc(C)c(N[C]=S)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL10406585 0.83 RAPGEF4 (0.50) RAPGEF4ALDH1A1GAAHTTLMNA
SCHEMBL1758845 0.79 MAPT (0.42) ALDH1A1GAAHTTKDM4ETP53
SCHEMBL1758534 0.79 GAA (0.50) RAPGEF4ALDH1A1GAAKDM4EMAPT
SCHEMBL3709124 0.78 RAPGEF4 (0.48) RAPGEF4ALDH1A1GAAHTTKDM4E
SCHEMBL1758615 0.78 GAA (0.50) RAPGEF4ALDH1A1GAAHTTKDM4E
SCHEMBL28215573 0.78 TRPA1 (0.47) LMNA
SCHEMBL10467189 0.75 RAB9A (0.42) ALDH1A1GAAKDM4ETP53MAPT
SCHEMBL9224102 0.74 GAA (0.65) RAPGEF4ALDH1A1GAAHTTKDM4E
SCHEMBL29196035 0.74 RAPGEF4 (0.71) RAPGEF4ALDH1A1GAAHTTKDM4E
SCHEMBL11289149 0.73 MAPT (0.48) ALDH1A1GAAHTTKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 RAPGEF4 971/4885ALDH1A1 952/4885GAA 533/4885

“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.