SCHEMBL246915

SCHEMBL246915

CC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.54
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
PAX8 Q06710 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.44
POLB P06746 1/20 0.43
CDC7 O00311 1/20 0.41
EEF2K O00418 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 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
SCHEMBL16797453 0.75 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL248053 0.72 MAPT (0.51) ALDH1A1HTTSMN1; SMN2NPSR1KMT2A
SCHEMBL246611 0.71 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL14108121 0.63 RAB9A (0.41) SMN1; SMN2RAB9ANPC1HPGDKMT2A
SCHEMBL11006800 0.63 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2RAB9APOLBMAPT
SCHEMBL9419174 0.63 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL11001481 0.63 SMN1; SMN2 (0.49) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL22080016 0.62 S1PR1 (0.44) ALDH1A1HTTSMN1; SMN2RAB9AKMT2A
SCHEMBL10940226 0.62 SMN1; SMN2 (0.48) ALDH1A1HTTSMN1; SMN2RAB9ANPC1
SCHEMBL4620848 0.62 HTT (0.56) ALDH1A1HTTSMN1; SMN2RAB9ANPC1

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-20130171158-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-04 US claimed
WO-2012000036-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-05 WO claimed
US-20130171158-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-04 US disclosed
WO-2012000036-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-05 WO 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-20130171158-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 FBP1, G6PC1, G6PD ALDH1A1 136/4885HTT 4382/4885SMN1; SMN2 2882/4885

“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.