SCHEMBL4917844

SCHEMBL4917844

Cc1ccc(C(=O)S)c(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
PDE10A Q9Y233 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
SYK P43405 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
DHODH Q02127 1/20 0.39
PDK1 Q15118 1/20 0.39
EGFR P00533 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL5532405 0.86 ALDH1A1 (0.54) NTRK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL29002505 0.83 KDM4E (0.53) NTRK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL4917847 0.79 NTRK1 (0.43) NTRK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL15716480 0.72 NTRK1 (0.66) NTRK1ALDH1A1LMNAKDM4EGRM5
SCHEMBL20124614 0.72 ALDH1A1 (0.49) NTRK1ALDH1A1LMNAMAPTMAPK1
SCHEMBL3853441 0.71 KDM4E (0.55) NTRK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9355817 0.71 GABRP (0.48) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11733981 0.71 PDE10A (0.52) NTRK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL25649417 0.71 BTK (0.55) DHODHEGFRGRM5
SCHEMBL5099569 0.70 PIN1 (0.50) KMT2ADHODHGRM5

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-1885817-B1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES UNIV DURHAM (GB) 2016-05-11 EP disclosed
US-8193174-B2 Responsive luminescent lanthanide complexes UNIVERSITY OF DURHAM (GB) 2012-06-05 US disclosed
US-20080312431-A1 Responsive Luminescent Lanthanide Complexes UNIVERSITY OF DURHAM (GB) 2008-12-18 US disclosed
EP-1885817-A1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES UNIVERSITY OF DURHAM (GB) 2008-02-13 EP disclosed
WO-2006120444-A1 RESPONSIVE LUMINESCENT LANTHANIDE COMPLEXES UNIVERSITY OF DURHAM (GB) 2006-11-16 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-20080312431-A1 Responsive Luminescent Lanthanide Complexes TPR, NLRP1, NISCH NTRK1 171/4885ALDH1A1 4568/4885LMNA 305/4885

“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.