SCHEMBL13842467

SCHEMBL13842467

CCC(CC)CNC(=O)c1cc(C(=O)c2c(-c3ccc(Br)cc3)noc2C)c[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.56
GABRA5 P31644 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK7 Q13164 1/20 0.38
CACNA1F O60840 1/20 0.38
ABCB1 P08183 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL13842428 0.92 SMN1; SMN2 (0.56) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3977143 0.91 SMN1; SMN2 (0.58) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3977973 0.89 HTT (0.61) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3976561 0.88 SMN1; SMN2 (0.59) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3978131 0.86 SMN1; SMN2 (0.57) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL13842426 0.86 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL13842455 0.86 HTT (0.60) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL13842454 0.86 HTT (0.60) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL14546667 0.86 HTT (0.60) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL13842409 0.86 SMN1; SMN2 (0.59) HTTSMN1; SMN2ALDH1A1LMNAKMT2A

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 4 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-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.