SCHEMBL1496337

SCHEMBL1496337

O=C(O)c1cccnc1SCc1ccnc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
GAA P10253 1/20 0.71
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP2C9 P11712 1/20 0.64
KDM4E B2RXH2 2/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.48
PKM P14618 1/20 0.48
HSP90AA1 P07900 1/20 0.47
POLB P06746 1/20 0.46
NSD2 O96028 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL1496280 0.86 KDR (0.53) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL1496385 0.84 MEN1 (0.62) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL1496421 0.84 MEN1 (0.65) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL1496296 0.84 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL14399032 0.82 ALDH1A1 (0.81) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL1496426 0.81 ALDH1A1 (0.56) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL1347000 0.81 ALDH1A1 (0.47) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL1496379 0.81 NSD2 (0.46) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL1496367 0.81 KDR (0.53) ALDH1A1GAAMEN1KMT2ACYP2C9
SCHEMBL1496366 0.80 KDR (0.66) ALDH1A1GAAMEN1KMT2AKDM4E

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 8 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 disclosed
US-7897774-B2 Cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-01 US disclosed
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
US-20080021064-A1 Novel cyclic compound having quinolylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US 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 ALDH1A1 1108/4885GAA 4244/4885MEN1 3961/4885

“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.