SCHEMBL7795626

SCHEMBL7795626

CNc1cc(I)ccc1C(=O)NCCC(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
PRSS1 P07477 2/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 2/20 0.37
KCNA5 P22460 1/20 0.37

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
SCHEMBL7325820 0.91 HRH4 (0.43) HRH4MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7796011 0.84 ROCK2 (0.43) HRH4MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7328344 0.82 HRH4 (0.42) HRH4MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7323307 0.75 CYP1A2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12913502 0.74 PRSS1 (0.64) MEN1KMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL27441071 0.74 PRSS1 (0.69) HRH4MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL24526798 0.72 ALDH1A1 (0.56) HRH4MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7325137 0.72 CRBN (0.51) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5214847 0.72 ALDH1A1 (0.58) HRH4MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7322396 0.71 ALDH1A1 (0.45) ALDH1A1MAPK1PRSS1CTSGCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
CN-1209744-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-03-03 CN disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL HRH4 499/4885MEN1 496/4885KMT2A 4750/4885

“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.