SCHEMBL3976845

SCHEMBL3976845

Cc1onc(-c2ccc(Br)cc2)c1C(=O)c1cc(C(=O)O)n(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RY12 Q9H244 1/20 0.43
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
PTPN1 P18031 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL3978337 0.90 KMT2A (0.54) KMT2AMEN1HTTALDH1A1P2RY12
SCHEMBL3979548 0.89 RAB9A (0.53) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL3976772 0.89 GPBAR1 (0.46) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL3979026 0.82 TRPV1 (0.45) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL3974843 0.81 GPBAR1 (0.50) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL13842556 0.81 GABRA5 (0.45) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL13844537 0.80 KMT2A (0.47) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL1246411 0.79 KMT2A (0.56) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL14034637 0.78 P2RY12 (0.48) KMT2AMEN1HTTALDH1A1KDM4E
SCHEMBL13842557 0.77 ALDH1A1 (0.56) HTTALDH1A1TDP1GAASMN1; 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 13 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 claimed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP claimed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP claimed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US claimed
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
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO 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 KMT2A 2468/4885MEN1 4745/4885HTT 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.