SCHEMBL3979182

SCHEMBL3979182

C#CCNC(=O)c1cc(C(=O)c2c(-c3ccc(OC)cc3)noc2C)c[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 7/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.49
KMT2A Q03164 3/20 0.46
CYP2C9 P11712 1/20 0.46
BACE1 P56817 3/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL14034758 0.94 HTT (0.49) HTTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3978178 0.89 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3980049 0.89 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3977034 0.89 HTT (0.58) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3980271 0.89 HTT (0.70) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3985260 0.87 HTT (0.60) HTTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3975861 0.85 ALDH1A1 (0.58) HTTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3977283 0.85 HTT (0.54) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3976829 0.84 HTT (0.52) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3978995 0.84 SMN1; SMN2 (0.58) HTTSMN1; SMN2ALDH1A1LMNAHPGD

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.