SCHEMBL1758845

SCHEMBL1758845

Cc1ccc(F)cc1N[C]=S

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.35
CLCN2 P51788 1/20 0.34
TP53 P04637 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
SCHEMBL1758403 0.80 ALDH1A1 (0.43) MAPTHTTALDH1A1MAPK1KMT2A
SCHEMBL1758458 0.79 CA3 (0.38) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL1758595 0.79 RAPGEF4 (0.48) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL1758534 0.76 GAA (0.50) MAPTALDH1A1GAAKDM4EPOLB
SCHEMBL1759051 0.76 CXCR2 (0.31) ALDH1A1
SCHEMBL10466152 0.75 HTT (0.42) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL9230966 0.74 MAPT (0.42) MAPTHTTALDH1A1MAPK1KMT2A
SCHEMBL11802152 0.72 MAPT (0.43) MAPTHTTALDH1A1MAPK1KMT2A
SCHEMBL20119833 0.72 MAPT (0.45) MAPTHTTALDH1A1MAPK1KMT2A
SCHEMBL30187201 0.72 MAPT (0.43) MAPTHTTALDH1A1MAPK1KMT2A

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 MAPT 2992/4885HTT 1553/4885ALDH1A1 952/4885

“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.