SCHEMBL6176397

SCHEMBL6176397

COc1ccc(CC(C(=O)C=[N+]=[N-])c2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LDHA P00338 1/20 0.42
POLB P06746 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6177780 0.81 LDHA (0.56) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL10541755 0.80 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL27575881 0.78 ALDH1A1 (0.48) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL10541760 0.76 LDHA (0.45) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL6176632 0.72 PKM (0.55) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL4217314 0.71 RAB9A (0.49) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL8814267 0.71 LDHA (0.49) KMT2ALDHA
SCHEMBL27557950 0.71 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL8814268 0.71 LDHA (0.49) KMT2ALDHA
SCHEMBL7267958 0.71 LDHA (0.46) ALDH1A1MEN1KMT2ALDHAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
CN-1299282-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2001-06-13 CN disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR ALDH1A1 2759/4885HPGD 780/4885NPSR1 41/4885

“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.