SCHEMBL1496418

SCHEMBL1496418

O=C(O)c1cccnc1SC(=O)c1ccnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP2C9 P11712 1/20 0.48
NSD2 O96028 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.46
ACLY P53396 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL228713 0.79 KDM4E (0.56) ALDH1A1NSD2SMN1; SMN2GAANPC1
SCHEMBL29375172 0.79 KDM4E (0.56) ALDH1A1NSD2SMN1; SMN2GAANPC1
SCHEMBL1496341 0.78 KMT2A (0.46) SMN1; SMN2GAANPC1ACLYMEN1
Hydrochloric Acid SCHEMBL30819457 0.77 KDM4E (0.54) ALDH1A1NSD2SMN1; SMN2GAANPC1
SCHEMBL335469 0.77 NSD2 (0.60) ALDH1A1NSD2SMN1; SMN2RAB9AACLY
Hydrochloric Acid SCHEMBL7310592 0.77 KDM4E (0.54) ALDH1A1NSD2SMN1; SMN2GAANPC1
SCHEMBL29502894 0.77 KDM4E (0.54) ALDH1A1NSD2SMN1; SMN2GAANPC1
SCHEMBL29550511 0.77 NSD2 (0.60) ALDH1A1NSD2SMN1; SMN2RAB9AACLY
Hydrochloric Acid SCHEMBL7308263 0.77 KDM4E (0.54) ALDH1A1NSD2SMN1; SMN2GAANPC1
SCHEMBL27589769 0.77 KDM4E (0.54) ALDH1A1NSD2SMN1; SMN2GAANPC1

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 1108/4885CYP2C9 285/4885NSD2 2543/4885

“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.