SCHEMBL1758458

SCHEMBL1758458

Fc1ccc(F)c(N[C]=S)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ACLY P53396 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
SCHEMBL10466152 0.83 HTT (0.42) KMT2ASMN1; SMN2ALDH1A1MEN1HTT
SCHEMBL1758412 0.81 LMNA (0.39) KMT2ALMNA
SCHEMBL1758845 0.79 MAPT (0.42) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL1759051 0.79 CXCR2 (0.31) ALDH1A1
SCHEMBL1759059 0.78 MAPT (0.39) CA3CA6CA5ACA9CA14
SCHEMBL1758535 0.76 MEN1 (0.47) CA9KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL27877504 0.75 MPO (0.38)
SCHEMBL3166134 0.73 RAB9A (0.45) KMT2ASMN1; SMN2ALDH1A1MEN1HTT
SCHEMBL3241138 0.71 ALDH1A1 (0.38) CA9KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL124354 0.70 ALDH1A1 (0.42) CA3CA6CA5ACA9CA14

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
CN-102712634-B Heteroaryl piperidine and heteroaryl bridged piperazine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-06 CN disclosed
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 CA3 4093/4885CA6 4420/4885CA5A 1134/4885

“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.