SCHEMBL3977513

SCHEMBL3977513

COC[C@H]1CCCN1C(=O)c1cc(C(=O)c2c(-c3ccccc3)noc2C)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GABRA5 P31644 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL13842379 1.00 LMNA (0.56) LMNAL3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL3977520 1.00 LMNA (0.56) LMNAL3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL13842399 0.92 LMNA (0.46) LMNAL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL3548616 0.86 LMNA (0.74) LMNAL3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL3548614 0.86 LMNA (0.74) LMNAL3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL13842393 0.83 HTT (0.49) LMNAL3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL3979047 0.82 LMNA (0.54) LMNAL3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL13842384 0.80 KMT2A (0.68) LMNAL3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL13842392 0.79 KMT2A (0.67) LMNAL3MBTL1HTTSMN1; SMN2KMT2A
SCHEMBL13842378 0.79 KMT2A (0.54) LMNAHTTSMN1; SMN2KMT2AKDM4E

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 3 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
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

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 LMNA 4188/4885L3MBTL1 3951/4885HTT 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.