SCHEMBL1758412

SCHEMBL1758412

Fc1ccc(Cl)cc1N[C]=S

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
GRIK1 P39086 1/20 0.37
ADORA2A P29274 1/20 0.36
CCR2 P41597 2/20 0.36
KCNMA1 Q12791 2/20 0.35
GRM4 Q14833 1/20 0.35
IDO1 P14902 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
FLT1 P17948 1/20 0.33
KCNN3 Q9UGI6 1/20 0.33

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
SCHEMBL1758458 0.81 CA3 (0.38) LMNAKMT2A
SCHEMBL1758864 0.81 IDO1 (0.47) KMT2AIDO1
SCHEMBL1758534 0.78 GAA (0.50) LMNAGAA
SCHEMBL6309372 0.77 ALDH1A1 (0.46) LMNAKMT2AGAA
SCHEMBL28841644 0.75 LMNA (0.40) LMNAKMT2AGAACCR2
SCHEMBL1758535 0.75 MEN1 (0.47) KMT2AIDO1
SCHEMBL27877503 0.73 CYP2A6 (0.38) KMT2AGAAIDO1
SCHEMBL1337289 0.71 IDO1 (0.41) LMNAKMT2AGAAGRIK1ADORA2A
SCHEMBL8214342 0.71 GRIK1 (0.40) LMNAKMT2AGAAGRIK1ADORA2A
SCHEMBL9231470 0.71 GAA (0.46) LMNAKMT2AGAAGRIK1ADORA2A

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
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
CN-102712634-A Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG 2012-10-03 CN 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 LMNA 3982/4885KMT2A 671/4885GAA 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.