SCHEMBL767144

SCHEMBL767144

C=C(C)c1cc(Cl)ccc1N1CCN(C(=O)c2ccc(O)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
ME2 P23368 2/20 0.39
ME1 P48163 2/20 0.39
ME3 Q16798 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL766926 0.83 ENPP2 (0.43) MEN1MAPTKMT2AMAPK1KDM4E
SCHEMBL767646 0.82 DRD3 (0.41) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL766238 0.82 ME2 (0.44) CLK1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL766847 0.77 ALDH1A1 (0.50) CLK1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL10274716 0.70 PKM (0.52) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL15633356 0.69 L3MBTL1 (0.52) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL1922683 0.69 SMN1; SMN2 (0.51) MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL1860009 0.68 NPC1 (0.52) MAPTSMN1; SMN2MAPK1ALDH1A1TP53
SCHEMBL766220 0.67 RBP4 (0.44) MAPK1LMNAGRM5
SCHEMBL30567225 0.67 DEGS1 (0.52) MAPTKDM4EGRM5AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 CLK1 4508/4885HSD17B10 1015/4885ABL1 4609/4885

“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.