SCHEMBL1496296

SCHEMBL1496296

O=C(O)c1ccccc1SCc1ccnc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
CYP1A2 P05177 3/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PTPRG P23470 1/20 0.46
PRNP P04156 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 2/20 0.44
PSMD14 O00487 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL1496337 0.84 ALDH1A1 (0.71) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL1496378 0.81 SMN1; SMN2 (0.44) ALDH1A1CYP1A2KMT2ARAB9ASMN1; SMN2
SCHEMBL1496386 0.79 PTPRC (0.59) ALDH1A1GAACYP1A2MEN1KMT2A
SCHEMBL1496308 0.79 HTT (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL1496282 0.79 KDR (0.64) MEN1KMT2ANPC1POLBKDM4E
SCHEMBL15143209 0.78 CYP1A2 (0.65) ALDH1A1GAACYP1A2MEN1KMT2A
SCHEMBL1496331 0.78 PKM (0.56) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL10802624 0.77 CYP1A2 (0.48) ALDH1A1GAACYP1A2MEN1KMT2A
SCHEMBL1496358 0.76 KDR (0.59) MEN1KMT2APOLBLMNA
SCHEMBL1496283 0.75 ACLY (0.50) ALDH1A1GAARAB9ANPC1SMN1; SMN2

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 4 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
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 ALDH1A1 1108/4885GAA 4244/4885CYP1A2 281/4885

“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.