SCHEMBL7796049

SCHEMBL7796049

Nc1cccc(CC(=O)CNCC(=O)c2ccc(OCC(=O)OCc3ccccc3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 5/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
PLA2G4B P0C869 1/20 0.40
PARP10 Q53GL7 1/20 0.37
CASP1 P29466 1/20 0.37
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL7795627 0.87 SMN1; SMN2 (0.39) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7796051 0.81 MAPK1 (0.43) MAPK1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8329698 0.79 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL7334309 0.75 NPC1 (0.49) MAPK1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8009012 0.75 RAB9A (0.56) MAPK1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7795117 0.74 ITGB3 (0.44) SMN1; SMN2KDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL7330565 0.74 RAB9A (0.55) MAPK1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7796055 0.73 ITGB1 (0.41) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2008979 0.73 MAPK1 (0.56) MAPK1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7796035 0.73 MAPT (0.40) RAB9ANPC1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL MAPK1 665/4885RAB9A 2305/4885NPC1 792/4885

“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.