SCHEMBL19736133

SCHEMBL19736133

CNC(=O)c1ccc(NC(C)=O)nc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.57
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
BAZ2B Q9UIF8 1/20 0.51
HCAR3 P49019 3/20 0.50
NNMT P40261 1/20 0.49
KMT2A Q03164 1/20 0.48
GRM5 P41594 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7093993 0.84 PTK2 (0.62) PTK2CYP1A2GAAHCAR3NNMT
SCHEMBL18715411 0.84 HCAR3 (0.70) BAZ2BHCAR3NNMTGRM5SMN1; SMN2
SCHEMBL82675 0.82 HCAR3 (0.68) PTK2CYP1A2GAAHCAR3KMT2A
SCHEMBL19728674 0.82 ALDH1A1 (0.56) BAZ2BHCAR3NNMTGRM5ALDH1A1
SCHEMBL19151204 0.82 SMN1; SMN2 (0.55) BAZ2BHCAR3SMN1; SMN2TP53TSHR
SCHEMBL25190504 0.81 PTK2 (0.59) PTK2CYP1A2GAAHCAR3NNMT
SCHEMBL3465475 0.81 NNMT (0.69) PTK2CYP1A2GAAHCAR3NNMT
SCHEMBL2487358 0.81 NNMT (0.54) BAZ2BHCAR3NNMTGRM5SMN1; SMN2
SCHEMBL29424855 0.81 NNMT (0.54) BAZ2BHCAR3NNMTGRM5SMN1; SMN2
SCHEMBL1854705 0.79 MAPK1 (0.59) PTK2CYP1A2GAAHCAR3NNMT

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PTK2 4052/4885CYP1A2 2481/4885GAA 1087/4885

“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.