SCHEMBL3985260

SCHEMBL3985260

C#CCNC(=O)c1cc(C(=O)c2c(-c3ccc(OCc4ccccc4)cc3)noc2C)c[nH]1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
BACE1 P56817 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMPD1 P17405 1/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL14546679 0.93 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL13842515 0.89 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL3980271 0.89 HTT (0.70) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL3979182 0.87 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL3982806 0.87 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3975441 0.87 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3977584 0.86 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL3982579 0.86 HTT (0.56) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3979883 0.84 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL3980702 0.84 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNAMAPT

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 7 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
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 HTT 2677/4885SMN1; SMN2 3215/4885ALDH1A1 435/4885

“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.