SCHEMBL3973652

SCHEMBL3973652

COc1ccc(CNC(=O)c2cc(C(=O)c3c(-c4ccccc4)noc3C)c[nH]2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
HTT P42858 2/20 0.69
ALDH1A1 P00352 6/20 0.57
MAPT P10636 1/20 0.57
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
TSHR P16473 1/20 0.50
MAPK7 Q13164 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL3978995 0.91 SMN1; SMN2 (0.58) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL4947769 0.88 HTT (0.75) SMN1; SMN2HTTALDH1A1LMNACYP2C9
SCHEMBL3977859 0.85 HTT (0.69) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL13842376 0.84 ALDH1A1 (0.72) SMN1; SMN2HTTALDH1A1LMNAKMT2A
SCHEMBL3979182 0.84 HTT (0.56) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL3975861 0.82 ALDH1A1 (0.58) SMN1; SMN2HTTALDH1A1LMNAPOLB
SCHEMBL13842387 0.82 HTT (0.72) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL4948287 0.82 SMN1; SMN2 (1.00) SMN1; SMN2HTTALDH1A1LMNAPOLB
SCHEMBL3983447 0.82 HTT (0.52) SMN1; SMN2HTTALDH1A1MAPTLMNA
SCHEMBL3980271 0.81 HTT (0.70) SMN1; SMN2HTTALDH1A1MAPTLMNA

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 SMN1; SMN2 3215/4885HTT 2677/4885ALDH1A1 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.