SCHEMBL286041

SCHEMBL286041

Cc1nc(C=Cc2c(-c3ccccc3)noc2C)sc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 1/20 0.43
POLB P06746 2/20 0.41
PLK1 P53350 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CASP6 P55212 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL286040 1.00 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1GAAHDAC6
SCHEMBL285937 0.89 ALDH1A1 (0.48) SMN1; SMN2HDAC6HDAC1POLBPTGS1
SCHEMBL285938 0.89 ALDH1A1 (0.48) SMN1; SMN2HDAC6HDAC1POLBPTGS1
SCHEMBL286453 0.86 GABRA5 (0.53) SMN1; SMN2KMT2AMEN1HDAC6RAB9A
SCHEMBL286451 0.86 GABRA5 (0.53) SMN1; SMN2KMT2AMEN1HDAC6RAB9A
SCHEMBL286452 0.84 HPGD (0.46) SMN1; SMN2KMT2AMEN1GAAHDAC6
SCHEMBL286182 0.84 GABRA5 (0.46) SMN1; SMN2KMT2AMEN1GAAHDAC6
SCHEMBL286183 0.83 POLB (0.44) SMN1; SMN2KMT2AMEN1GAAHDAC6
SCHEMBL285890 0.80 GABRA5 (0.52) LMNAALDH1A1
SCHEMBL285846 0.79 GABRA5 (0.45) SMN1; SMN2KMT2AALDH1A1KDM4E

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 9 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 claimed
US-8178522-B2 Thiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US claimed
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 claimed
US-20100286116-A1 THIAZOLES ROCHE PALO ALTO LLC 2010-11-11 US claimed
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 SMN1; SMN2 3066/4885KMT2A 3573/4885MEN1 4534/4885

“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.