SCHEMBL5353113

SCHEMBL5353113

Nc1ccc(Oc2cccc3nc(NC(=O)O)cn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.42
GRM5 P41594 1/20 0.36
MAOA P21397 1/20 0.35
MAP3K5 Q99683 1/20 0.34
PARP10 Q53GL7 1/20 0.34
KDM1A O60341 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NLRP1 Q9C000 1/20 0.33
NOD2 Q9HC29 1/20 0.33
JAK2 O60674 3/20 0.33
GCK P35557 1/20 0.33
TNK2 Q07912 1/20 0.33

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
SCHEMBL25311385 0.73 JAK1 (0.40) JAK1MAP3K5ALDH1A1GAAMAPT
SCHEMBL5149569 0.65 TGM2 (0.56) MAOAPARP10MAPK14ALDH1A1MEN1
SCHEMBL5153495 0.64 ALDH1A1 (0.58) MAOAALDH1A1MEN1MITFGAA
SCHEMBL913680 0.64 PTGS1 (0.58) ALDH1A1MAPTGFERSMN1; SMN2PTGS1
SCHEMBL1258121 0.63 KDR (0.55) JAK1ABL1METKDRLRRK2
SCHEMBL10352896 0.61 MAOA (0.60) MAOAKDM1AALDH1A1MEN1MITF
SCHEMBL28535502 0.60 MEN1 (0.63) GRM5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4377108 0.60 XIAP (0.62) GRM5ALDH1A1MEN1MAPTKMT2A
SCHEMBL5149570 0.60 ALDH1A1 (0.53) MAOAPARP10MAPK14ALDH1A1MEN1
Benzene SCHEMBL28182432 0.59 MAOA (0.89) MAOAPARP10KDM1AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 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 (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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 JAK1 82/4885GRM5 4033/4885MAOA 3005/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 JAK1 82/4885GRM5 4033/4885MAOA 3005/4885

“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.