SCHEMBL848353

SCHEMBL848353

Cc1cc(NC(N)=S)cc(C)c1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 5/20 0.43
TP53 P04637 1/20 0.43
TYR P14679 1/20 0.43
TSHR P16473 1/20 0.43
TAS2R38 P59533 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL27927996 0.85 CYP1A2 (0.53) CYP1A2ALDH1A1TP53TYRTSHR
SCHEMBL27670903 0.79 KIF11 (0.46) CYP1A2ALDH1A1MAPTKMT2AGAA
SCHEMBL14347168 0.76 CYP1A2 (0.55) CYP1A2ALDH1A1TP53TYRTSHR
SCHEMBL35212106 0.76 CYP1A2 (0.55) CYP1A2ALDH1A1TP53TYRTSHR
SCHEMBL1881297 0.76 CYP1A2 (0.64) CYP1A2ALDH1A1TP53TYRTSHR
SCHEMBL219165 0.76 ALDH1A1 (0.48) CYP1A2ALDH1A1TP53TYRTSHR
SCHEMBL1885996 0.75 CYP1A2 (0.58) CYP1A2ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL20855148 0.75 CYP1A2 (0.53) CYP1A2ALDH1A1TP53TYRTSHR
SCHEMBL6864047 0.74 ALDH1A1 (0.41) CYP1A2ALDH1A1MAPTKMT2AGAA
SCHEMBL222223 0.72 ALDH1A1 (0.45) CYP1A2ALDH1A1TP53TYRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CYP1A2 944/4885ALDH1A1 836/4885TP53 3159/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CYP1A2 944/4885ALDH1A1 836/4885TP53 3159/4885

“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.