SCHEMBL7796035

SCHEMBL7796035

COC(=O)COc1ccc(C(=O)CNCCc2cccc(N)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
PPARD Q03181 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
PTGS2 P35354 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
SCHEMBL7796055 0.90 ITGB1 (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7796029 0.80 NPC1 (0.39) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL7795627 0.76 SMN1; SMN2 (0.39) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9265717 0.75 ST14 (0.45) POLBITGB3ITGA2B
SCHEMBL9265712 0.73 MAPT (0.54) MAPTRAB9APOLBALDH1A1KDM4E
SCHEMBL7796049 0.73 MAPK1 (0.42) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL7588938 0.72 LMNA (0.38) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL18989631 0.71 KDM4E (0.46) MAPTSMN1; SMN2POLBALDH1A1HTT
SCHEMBL8182190 0.71 ITGB3 (0.45) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL11657271 0.71 PTGS2 (0.50) MAPTNPC1RAB9ASMN1; SMN2POLB

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 4 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
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP 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 MAPT 4080/4885NPC1 792/4885RAB9A 2305/4885

“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.