SCHEMBL1758864

SCHEMBL1758864

S=[C]Nc1cc(Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
MCL1 Q07820 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
TP53 P04637 2/20 0.42
EPHX1 P07099 2/20 0.42
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

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
SCHEMBL6309372 0.83 ALDH1A1 (0.46) MEN1KMT2AMCL1TP53MAPT
SCHEMBL1758412 0.81 LMNA (0.39) IDO1KMT2A
SCHEMBL1758534 0.79 GAA (0.50) POLBRAPGEF4MAPTTSHRALDH1A1
SCHEMBL7202279 0.78 MEN1 (0.46) IDO1MEN1KMT2APOLBMCL1
SCHEMBL1758628 0.78 MEN1 (0.50) IDO1MEN1KMT2APOLBMCL1
SCHEMBL28841644 0.76 LMNA (0.40) MEN1KMT2ARAPGEF4TP53MAPT
SCHEMBL27877503 0.75 CYP2A6 (0.38) IDO1MEN1KMT2APOLBMAPT
SCHEMBL5542700 0.75 MAPK1 (0.33) MEN1KMT2AMCL1MAPTTSHR
SCHEMBL2681031 0.74 MEN1 (0.54) IDO1MEN1KMT2APOLBMCL1
SCHEMBL1268879 0.73 ALDH1A1 (0.44) MEN1KMT2AMAPTTSHRALDH1A1

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 IDO1 513/4885MEN1 3204/4885KMT2A 671/4885

“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.