SCHEMBL1758535

SCHEMBL1758535

Fc1ccc(C(F)(F)F)cc1N[C]=S

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 1/20 0.44
TMPRSS4 Q9NRS4 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
IDO1 P14902 2/20 0.38
KDR P35968 3/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE2A O00408 1/20 0.35
MCL1 Q07820 1/20 0.35
MPL P40238 1/20 0.34
MAPT P10636 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
SCHEMBL1758554 0.81 MEN1 (0.48) MEN1KMT2ATSHRTMPRSS4CA12
SCHEMBL1758458 0.76 CA3 (0.38) MEN1KMT2ATSHRCA9ALDH1A1
SCHEMBL170906 0.75 MEN1 (0.51) MEN1KMT2ATSHRTMPRSS4CA12
SCHEMBL21621721 0.75 MEN1 (0.47) MEN1KMT2ATSHRTMPRSS4CA12
SCHEMBL1758412 0.75 LMNA (0.39) KMT2AIDO1
SCHEMBL9226482 0.75 MEN1 (0.47) MEN1KMT2ATSHRTMPRSS4CA12
Hydrochloric Acid SCHEMBL3640197 0.73 IDO1 (0.47) MEN1KMT2ATSHRTMPRSS4CA12
SCHEMBL20656065 0.72 MEN1 (0.45) MEN1KMT2ATSHRTMPRSS4CA12
SCHEMBL20560277 0.71 MEN1 (0.55) MEN1KMT2ATSHRTMPRSS4CA12
SCHEMBL5518568 0.71 MEN1 (0.55) MEN1KMT2ATSHRTMPRSS4CA12

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 MEN1 3204/4885KMT2A 671/4885TSHR 4110/4885

“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.