SCHEMBL3974280

SCHEMBL3974280

COC(=O)c1cc(C(=O)c2c(-c3ccccc3Cl)noc2C)c[nH]1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.58
GPBAR1 Q8TDU6 2/20 0.57
MAPT P10636 5/20 0.56
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP2C19 P33261 1/20 0.51

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
SCHEMBL3977573 0.88 HSD17B10 (0.58) ALDH1A1LMNAGPBAR1MAPTHSD17B10
SCHEMBL3975800 0.88 ALDH1A1 (0.49) ALDH1A1LMNAGPBAR1MAPTHSD17B10
SCHEMBL3975766 0.88 ALDH1A1 (0.49) ALDH1A1LMNAGPBAR1MAPTTP53
SCHEMBL3982594 0.85 SMN1; SMN2 (0.63) ALDH1A1LMNAHSD17B10KDM4ETSHR
SCHEMBL3974273 0.83 LMNA (0.53) ALDH1A1LMNAGPBAR1MAPTKDM4E
SCHEMBL3977478 0.82 ALDH1A1 (0.55) ALDH1A1LMNAGPBAR1MAPTKDM4E
SCHEMBL13733697 0.82 HSD17B10 (0.71) ALDH1A1LMNAGPBAR1MAPTHSD17B10
SCHEMBL28771246 0.81 HSD17B10 (0.55) ALDH1A1LMNAGPBAR1MAPTHSD17B10
SCHEMBL14546845 0.81 SMN1; SMN2 (0.53) ALDH1A1LMNAGPBAR1MAPTHSD17B10
SCHEMBL13842561 0.80 KMT2A (0.60) ALDH1A1LMNAMAPTHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 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-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 ALDH1A1 435/4885LMNA 4188/4885GPBAR1 214/4885

“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.