SCHEMBL3984574

SCHEMBL3984574

Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1c[nH]c(C(=O)NCC2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
GABRA5 P31644 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL3979616 0.95 ALDH1A1 (0.57) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL13842468 0.95 ALDH1A1 (0.57) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL3976659 0.91 ALDH1A1 (0.62) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL13842369 0.91 ALDH1A1 (0.58) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL3977186 0.91 HTT (0.68) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL13842445 0.89 ALDH1A1 (0.73) ALDH1A1LMNAHTTSMN1; SMN2HPGD
SCHEMBL13842444 0.89 ALDH1A1 (0.73) ALDH1A1LMNAHTTSMN1; SMN2HPGD
SCHEMBL3975861 0.89 ALDH1A1 (0.58) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL3977465 0.89 ALDH1A1 (0.56) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL13842457 0.88 ALDH1A1 (0.55) ALDH1A1LMNAHTTSMN1; SMN2NPSR1

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 ALDH1A1 435/4885LMNA 4188/4885HTT 2677/4885

“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.