SCHEMBL1496331

SCHEMBL1496331

Cc1cc(C)cc(NC(=O)c2ccccc2SCc2ccnc3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
ALDH1A1 P00352 4/20 0.46
POLB P06746 4/20 0.44
KDR P35968 1/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 4/20 0.44
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
NR2E1 Q9Y466 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1496291 0.88 KDM4E (0.47) PKMALDH1A1POLBKDRLMNA
SCHEMBL1496283 0.86 ACLY (0.50) ALDH1A1POLBKDRLMNATDP1
SCHEMBL1496282 0.84 KDR (0.64) POLBKDRHSD17B10LMNAALOX15
SCHEMBL1496405 0.84 KDR (0.47) PKMALDH1A1POLBKDRLMNA
SCHEMBL1496358 0.83 KDR (0.59) POLBKDRHSD17B10LMNAALOX15
SCHEMBL1496378 0.80 SMN1; SMN2 (0.44) ALDH1A1POLBKDRLMNAL3MBTL1
SCHEMBL1496259 0.80 KDR (0.58) KDRLMNAL3MBTL1MEN1KMT2A
SCHEMBL1941030 0.80 PKM (0.57) PKMALDH1A1POLBKDRHSD17B10
SCHEMBL4017457 0.79 KDR (0.69) PKMALDH1A1POLBKDRHSD17B10
Hydrochloric Acid SCHEMBL3924243 0.79 PKM (0.56) PKMALDH1A1POLBKDRHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US claimed
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP claimed
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US claimed
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US disclosed
EP-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP disclosed
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
EP-1854787-A1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-11-14 EP 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-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SQOR, QSOX1, SQLE PKM 2456/4885ALDH1A1 1108/4885POLB 4566/4885

“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.