SCHEMBL3978095

SCHEMBL3978095

COc1ccc(-c2noc(C)c2C(=O)c2c[nH]c(C(=O)NC3CC3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 3/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX12 P18054 1/20 0.47
TSHR P16473 1/20 0.46
MAPK14 Q16539 1/20 0.46
MAPT P10636 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
BACE1 P56817 2/20 0.45
GPBAR1 Q8TDU6 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
SCHEMBL3982139 0.97 NPC1 (0.52) HTTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL3979547 0.97 HTT (0.50) HTTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL3977280 0.88 ALDH1A1 (0.54) HTTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL3976799 0.88 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL14034653 0.88 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3975915 0.88 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3977460 0.88 HTT (0.65) HTTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3985247 0.87 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL3979229 0.87 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL3975861 0.87 ALDH1A1 (0.58) HTTSMN1; SMN2ALDH1A1HPGDLMNA

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.