SCHEMBL286434

SCHEMBL286434

COC(=O)c1sc(CC(O)c2c(-c3ccccc3)noc2C)nc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
PTBP1 P26599 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.41
PTGS1 P23219 1/20 0.41
GABRA5 P31644 3/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL286026 0.78 POLB (0.41) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL285937 0.73 ALDH1A1 (0.48) LMNAALDH1A1HPGDKDM4EPTBP1
SCHEMBL285938 0.73 ALDH1A1 (0.48) LMNAALDH1A1HPGDKDM4EPTBP1
SCHEMBL286042 0.72 GABRA5 (0.44) ALDH1A1KDM4EGABRA5KMT2AATM
SCHEMBL286136 0.70 GABRA5 (0.52) ALDH1A1GABRA5
SCHEMBL285884 0.69 GABRA5 (0.54) LMNAALDH1A1HPGDKDM4ENPC1
SCHEMBL285660 0.69 SMN1; SMN2 (0.48) ALDH1A1KDM4ESMN1; SMN2NPC1GABRA5
SCHEMBL2683656 0.68 GABRA5 (0.48) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL4683450 0.68 PTGS1 (0.73) LMNAALDH1A1HPGDKDM4EPTBP1
SCHEMBL8339659 0.68 TRPM8 (0.73) LMNAALDH1A1HPGDKDM4ESMN1; SMN2

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 LMNA 3804/4885ALDH1A1 473/4885HPGD 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.