SCHEMBL286128

SCHEMBL286128

CCCNC(=O)c1cnc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
POLB P06746 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.42
JMJD7 P0C870 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LCK P06239 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 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
SCHEMBL26671873 0.87 HDAC4 (0.44) MAPK14NPC1RAB9AMAPTGAA
SCHEMBL12801181 0.82 POLB (0.43) MAPK14POLBNPC1RAB9AMAPT
SCHEMBL26702862 0.78 POLB (0.40) MAPK14POLBNPC1RAB9AMAPT
SCHEMBL294099 0.78 POLB (0.41) MAPK14POLBNPC1RAB9AMAPT
SCHEMBL21853882 0.74 ALDH1A1 (0.38) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL9326293 0.73 KMT2A (0.46) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL286127 0.73 TP53 (0.46) MAPK14POLBMAPTKDM4EHPGD
SCHEMBL6362178 0.73 MAPK1 (0.69) POLBNPC1RAB9AMAPTKDM4E
SCHEMBL23959903 0.72 FAAH (0.40) NPC1SMN1; SMN2L3MBTL1ALDH1A1MAPK1
SCHEMBL12615187 0.72 F10 (0.47) MAPK14NPC1RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427459-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
US-8178522-B2 Thiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127974-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286116-A1 THIAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286116-A1 THIAZOLES GABRA5, GABRA1, GABRA4 MAPK14 4392/4885POLB 4094/4885NPC1 640/4885

“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.