SCHEMBL3979547

SCHEMBL3979547

COc1ccc(-c2noc(C)c2C(=O)c2c[nH]c(C(=O)NC3CCC3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 3/20 0.49
MAPK14 Q16539 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.45
ALOX12 P18054 1/20 0.45
TSHR P16473 1/20 0.44
CNR1 P21554 1/20 0.44
MAPT P10636 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
BACE1 P56817 2/20 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
SCHEMBL3982139 0.98 NPC1 (0.52) HTTALDH1A1NPC1RAB9AHPGD
SCHEMBL3978095 0.97 HTT (0.51) HTTALDH1A1NPC1RAB9AHPGD
SCHEMBL3985247 0.90 HTT (0.53) HTTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL3973503 0.89 HTT (0.51) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3974271 0.89 MAPK14 (0.55) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3976077 0.89 HTT (0.51) HTTALDH1A1SMN1; SMN2LMNAMAPK14
SCHEMBL3975394 0.89 HTT (0.61) HTTALDH1A1SMN1; SMN2LMNAMAPK14
SCHEMBL3979229 0.89 HTT (0.53) HTTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL3978804 0.87 MAPK14 (0.53) HTTALDH1A1SMN1; SMN2LMNAMAPK14
SCHEMBL3981733 0.87 MAPK14 (0.58) HTTALDH1A1NPC1RAB9ASMN1; SMN2

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 2677/4885ALDH1A1 435/4885NPC1 2057/4885

“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.