SCHEMBL5023980

SCHEMBL5023980

N=C(N)Nc1ncc(CNC(=O)CN2C(=O)CC=C(CC(=O)O)c3ccccc32)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB3 P05106 4/20 0.40
ITGAV P06756 4/20 0.40
MAPK1 P28482 2/20 0.36
F2 P00734 3/20 0.36
PRSS1 P07477 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
KDM4E B2RXH2 1/20 0.34
OGA O60502 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL5025617 0.77 ITGB3 (0.51) ITGB3ITGAVMAPK1
SCHEMBL5879680 0.72 ITGB3 (0.46) ITGB3ITGAVMAPK1KDM4E
SCHEMBL5025452 0.69 LMNA (0.47) ALDH1A1MEN1MAPTKMT2A
SCHEMBL5025495 0.67 MAPK1 (0.69) ALDH1A1MAPK1TSHRSMN1; SMN2CCNE1
SCHEMBL5026331 0.61 CA12 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL5024045 0.58 PSEN1 (0.39) ALDH1A1L3MBTL1MAPK1TSHRSMN1; SMN2
SCHEMBL10959901 0.58 AOC3 (0.37) ALDH1A1L3MBTL1MAPK1TSHRSMN1; SMN2
SCHEMBL5029851 0.58 ITGB3 (0.65) ALDH1A1L3MBTL1ITGB3ITGAVMAPK1
Hydrochloric Acid SCHEMBL5024024 0.57 PSEN1 (0.39) ALDH1A1L3MBTL1MAPK1TSHRSMN1; SMN2
SCHEMBL6335118 0.57 MAPK13 (0.56) ALDH1A1TSHRSMN1; SMN2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ALDH1A1 2222/4885HSD17B10 4617/4885L3MBTL1 3809/4885

“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.