SCHEMBL7651372

SCHEMBL7651372

COC(=O)c1ccc2c(CCc3cc(=O)nc(N)[nH]3)nn(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ TLR8 Q9NR97 4/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL7684161 0.89 SLC22A12 (0.36) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL7651382 0.84 BACE1 (0.42) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL28472884 0.79 TLR8 (0.41) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL28468125 0.77 LOXL2 (0.46) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL7658563 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL27272748 0.75 SLC22A12 (0.44) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL7656202 0.74 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL7684164 0.73 BACE1 (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8682731 0.73 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL23559702 0.72 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10GAA

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-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 — — US disclosed
US-20010044535-A1 Integrin antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-11-22 — — 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-20010044535-A1 Integrin antagonists ITGB3, VCAM1, ITGB2 ALDH1A1 2216/4885KDM4E 3935/4885HPGD 3468/4885

“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.

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