SCHEMBL3853441

SCHEMBL3853441

O=C(S)c1cccnc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
RORB Q92753 1/20 0.47
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP46A1 Q9Y6A2 2/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAPRT Q6XQN6 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P4HTM Q9NXG6 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
SCHEMBL31586013 0.85 KDM4E (0.77) KDM4ETDP1RORBCYP3A4L3MBTL1
SCHEMBL912675 0.85 KDM4E (0.77) KDM4ETDP1RORBCYP3A4L3MBTL1
SCHEMBL10969548 0.85 RORB (0.60) KDM4ETDP1RORBCYP3A4L3MBTL1
SCHEMBL29916420 0.81 KDM4E (0.55) KDM4ETDP1RORBCYP3A4L3MBTL1
SCHEMBL13002583 0.81 KDM4E (0.55) KDM4ETDP1RORBCYP3A4L3MBTL1
SCHEMBL945856 0.81 KDM4E (0.55) KDM4ETDP1RORBCYP3A4L3MBTL1
SCHEMBL11471987 0.80 KMT2A (0.55) KDM4ETDP1RORBCYP3A4L3MBTL1
SCHEMBL5670751 0.80 KDM4E (0.48) KDM4ETDP1CYP3A4L3MBTL1ALDH1A1
Nitrous Acid SCHEMBL28162396 0.79 KDM4E (0.67) KDM4ETDP1RORBCYP3A4L3MBTL1
SCHEMBL3733315 0.79 KDM4E (0.52) KDM4ETDP1RORBCYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 US disclosed
US-20060293365-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2006-12-28 US 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-20060293365-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS ASS1, QTRT2, MLLT1 KDM4E 225/4885TDP1 2665/4885RORB 1514/4885

“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.