SCHEMBL3978682

SCHEMBL3978682

Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1c[nH]c(C(=O)NC2CCCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
MAPK14 Q16539 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.46
TRPV1 Q8NER1 1/20 0.45
CNR1 P21554 1/20 0.45
ACKR3 P25106 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
S1PR1 P21453 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3978804 0.99 MAPK14 (0.53) HTTMAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL3976077 0.97 HTT (0.51) HTTMAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL3975915 0.96 HTT (0.53) HTTMAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL13842459 0.94 HTT (0.51) HTTMAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL13842436 0.93 HTT (0.50) HTTMAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL13842408 0.92 HTT (0.49) HTTMAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL13842435 0.90 HTT (0.47) HTTMAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL3981733 0.90 MAPK14 (0.58) HTTMAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL3979554 0.90 MAPK14 (0.53) HTTMAPK14SMN1; SMN2ALDH1A1LMNA
SCHEMBL4248633 0.90 HTT (0.61) HTTMAPK14SMN1; SMN2ALDH1A1LMNA

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 2677/4885MAPK14 4393/4885SMN1; SMN2 3215/4885

“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.