SCHEMBL285937

SCHEMBL285937

COC(=O)c1sc(/C=C/c2c(-c3ccccc3)noc2C)nc1C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PTGS1 P23219 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PTBP1 P26599 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HDAC6 Q9UBN7 4/20 0.42
HDAC1 Q13547 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
GABRA5 P31644 2/20 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
SCHEMBL285938 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL286040 0.89 SMN1; SMN2 (0.49) ALDH1A1LMNARAB9APTGS1KDM4E
SCHEMBL286041 0.89 SMN1; SMN2 (0.49) ALDH1A1LMNARAB9APTGS1KDM4E
SCHEMBL286451 0.86 GABRA5 (0.53) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL286453 0.86 GABRA5 (0.53) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL286183 0.86 POLB (0.44) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL286182 0.83 GABRA5 (0.46) ALDH1A1HPGDNPC1SMN1; SMN2HDAC6
SCHEMBL286452 0.83 HPGD (0.46) ALDH1A1HPGDNPC1KDM4ESMN1; SMN2
SCHEMBL285890 0.78 GABRA5 (0.52) ALDH1A1LMNAGABRA5
SCHEMBL18092063 0.78 HDAC6 (0.42) ALDH1A1LMNAHPGDNPC1RAB9A

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 ALDH1A1 473/4885LMNA 3804/4885HPGD 1522/4885

“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.