SCHEMBL3978035

SCHEMBL3978035

C#CCNC(=O)c1cc(C(=O)c2c(-c3cccc(Cl)c3)noc2C)c[nH]1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GHSR Q92847 1/20 0.49
MAPK14 Q16539 3/20 0.47
MAPK7 Q13164 2/20 0.47
GPBAR1 Q8TDU6 1/20 0.46
DOT1L Q8TEK3 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
GABRA5 P31644 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3977034 0.90 HTT (0.58) ALDH1A1LMNAHTTSMN1; SMN2GHSR
SCHEMBL3980271 0.90 HTT (0.70) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL3976664 0.89 HTT (0.58) ALDH1A1LMNAHTTSMN1; SMN2MAPK14
SCHEMBL13842508 0.88 SMN1; SMN2 (0.59) ALDH1A1LMNAHTTSMN1; SMN2GHSR
SCHEMBL3977283 0.86 HTT (0.54) ALDH1A1LMNAHTTSMN1; SMN2MAPK14
SCHEMBL3976098 0.86 ALDH1A1 (0.64) ALDH1A1LMNAHTTSMN1; SMN2GHSR
SCHEMBL13842511 0.84 HTT (0.59) ALDH1A1LMNAHTTSMN1; SMN2MAPK14
SCHEMBL3980049 0.84 HTT (0.58) ALDH1A1LMNAHTTSMN1; SMN2MAPK14
SCHEMBL3978178 0.84 HTT (0.58) ALDH1A1LMNAHTTSMN1; SMN2MAPK14
SCHEMBL3978326 0.83 HTT (0.54) ALDH1A1LMNAHTTSMN1; SMN2GHSR

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 ALDH1A1 435/4885LMNA 4188/4885HTT 2677/4885

“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.