SCHEMBL5749065

SCHEMBL5749065

CC(=O)c1cccc(NC(=O)Nc2nc3ccncc3cc2-c2cccc(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
IMPDH2 P12268 3/20 0.52
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F3 P13726 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
RIPK1 Q13546 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CNR1 P21554 1/20 0.42
KCNK3 O14649 1/20 0.42

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
SCHEMBL5749483 0.87 ALDH1A1 (0.52) ALDH1A1HTTIMPDH2MAPTKMT2A
SCHEMBL5748752 0.87 ALDH1A1 (0.51) ALDH1A1HTTIMPDH2TP53MAPT
SCHEMBL5748516 0.85 IMPDH2 (0.50) IMPDH2TP53MAPTKMT2ANPC1
SCHEMBL5749819 0.85 ALDH1A1 (0.54) ALDH1A1HTTIMPDH2MAPTKMT2A
SCHEMBL5866725 0.84 IMPDH2 (0.45) IMPDH2KMT2APKMSMN1; SMN2GAA
SCHEMBL5749946 0.84 ALDH1A1 (0.50) ALDH1A1HTTKMT2AF3MEN1
SCHEMBL5749873 0.83 ALDH1A1 (0.54) ALDH1A1HTTIMPDH2MAPTKMT2A
SCHEMBL5750210 0.83 KMT2A (0.52) HTTIMPDH2TP53MAPTKMT2A
SCHEMBL5750157 0.82 FGFR1 (0.56) IMPDH2KDR
SCHEMBL5748453 0.82 FGFR1 (0.56) IMPDH2KDR

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
EP-1372648-B1 TIE2 RECEPTOR KINASE INHIBITORS FOR TREATING ANGIOGENIC DISEASES SMITHKLINE BEECHAM CORP (US) 2006-03-15 EP disclosed
US-7005434-B2 Compounds and uses thereof SB CORPORATION (US) 2006-02-28 US disclosed
US-20040048888-A1 Novel compounds and uses thereof SMITHKLINE BEECHAM CORPORATION 2004-03-11 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-20040048888-A1 Novel compounds and uses thereof TEK, TIE1, KDR ALDH1A1 1375/4885HTT 2515/4885IMPDH2 2683/4885

“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.