SCHEMBL10131350

SCHEMBL10131350

CC(C)(C)/C=C/c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 1/20 0.52
RELA Q04206 1/20 0.51
FBP1 P09467 1/20 0.49
CHRM5 P08912 1/20 0.48
MAOB P27338 5/20 0.45
MAOA P21397 3/20 0.42
NFE2L2 Q16236 3/20 0.42
AKR1C3 P42330 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL28443843 0.80 CHAT (0.46) CHATCYP1A2CYP2C9RELAFBP1
SCHEMBL699365 0.80 CHAT (0.67) CHATCYP1A2CYP2C9RELAFBP1
SCHEMBL699364 0.80 CHAT (0.67) CHATCYP1A2CYP2C9RELAFBP1
SCHEMBL28680695 0.80 CYP1A2 (0.52) CHATCYP1A2CYP2C9RELAFBP1
SCHEMBL19452321 0.78 CYP1A2 (0.53) CHATCYP1A2CYP2C9RELAFBP1
SCHEMBL27958955 0.78 CYP1A2 (0.53) CHATCYP1A2CYP2C9RELAFBP1
SCHEMBL771273 0.77 CHAT (0.58) CHATCYP1A2CYP2C9RELAFBP1
SCHEMBL321041 0.77 CHAT (0.58) CHATCYP1A2CYP2C9RELAFBP1
SCHEMBL1668240 0.77 CHAT (0.58) CHATCYP1A2CYP2C9RELAFBP1
SCHEMBL29983358 0.77 CHAT (0.58) CHATCYP1A2CYP2C9RELAFBP1

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
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF HEPANOVA, INC. 2021-11-04 US disclosed
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof HEPANOVA, INC. (US) 2021-05-11 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 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 (5 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 CHAT 3994/4885CYP1A2 104/4885CYP2C9 11/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CHAT 3994/4885CYP1A2 104/4885CYP2C9 11/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CHAT 3994/4885CYP1A2 104/4885CYP2C9 11/4885
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof AADAC, GOT2, ABAT CHAT 350/4885CYP1A2 272/4885CYP2C9 493/4885
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, GOT2, ABAT CHAT 350/4885CYP1A2 272/4885CYP2C9 493/4885

“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.