SCHEMBL3976671

SCHEMBL3976671

Cc1onc(-c2cccc(Cl)c2)c1C(=O)c1c[nH]c(C(=O)NC2CCCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.60
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
GABRA5 P31644 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
CNR2 P34972 1/20 0.47
GHSR Q92847 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46

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
SCHEMBL3981497 0.97 ALDH1A1 (0.56) MAPK14ALDH1A1LMNAGABRA5NPC1
SCHEMBL13842509 0.93 GABRA5 (0.56) MAPK14ALDH1A1LMNAGABRA5NPC1
SCHEMBL3981733 0.90 MAPK14 (0.58) MAPK14ALDH1A1LMNAGABRA5NPC1
SCHEMBL4248633 0.90 HTT (0.61) MAPK14ALDH1A1LMNAGABRA5NPC1
SCHEMBL3975131 0.89 MAPK14 (0.55) MAPK14ALDH1A1LMNAGABRA5HTT
SCHEMBL3976213 0.89 MAPK14 (0.55) MAPK14ALDH1A1LMNAGABRA5HTT
SCHEMBL3974271 0.88 MAPK14 (0.55) MAPK14ALDH1A1LMNAGABRA5NPC1
SCHEMBL3975394 0.88 HTT (0.61) MAPK14ALDH1A1LMNAGABRA5HTT
SCHEMBL3977027 0.88 MAPK14 (0.52) MAPK14ALDH1A1LMNAGABRA5HTT
SCHEMBL3977280 0.87 ALDH1A1 (0.54) MAPK14ALDH1A1LMNAGABRA5NPC1

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 MAPK14 4393/4885ALDH1A1 435/4885LMNA 4188/4885

“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.