SCHEMBL451271

SCHEMBL451271

CC(=O)Nc1ccc(S(=O)(=O)NCC(C)c2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
BACE1 P56817 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 2/20 0.42
TTR P02766 1/20 0.42
HTT P42858 1/20 0.42
HTR7 P34969 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL4581565 0.87 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL451272 0.84 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL450526 0.75 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL4581560 0.74 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL450707 0.74 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL450561 0.73 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL1553141 0.72 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL449870 0.72 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL452032 0.72 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL454036 0.72 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP 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 (2 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MAPT 4075/4885SMN1; SMN2 4873/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885MAPT 4075/4885SMN1; SMN2 4873/4885

“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.