SCHEMBL7684161

SCHEMBL7684161

Cn1nc(CCc2cc(=O)nc(N)[nH]2)c2ccc(C(=O)O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 6/20 0.36
▸ PARP1 P09874 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CSNK2A1 P68400 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ B3GNT2 Q9NY97 1/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ FOLR1 P15328 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ TEAD1 P28347 1/20 0.32
▸ TEAD4 Q15561 1/20 0.32
▸ TEAD2 Q15562 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ TTR P02766 1/20 0.31

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
SCHEMBL7651372 0.89 ALDH1A1 (0.37) PARP1KDM4ECSNK2A1ALDH1A1GAA
SCHEMBL7684164 0.83 BACE1 (0.46) SLC22A12PARP1KDM4ERECQLCSNK2A1
SCHEMBL4261343 0.73 SLC22A12 (0.60) SLC22A12PARP1KDM4EALDH1A1GAA
SCHEMBL7651382 0.73 BACE1 (0.42) PARP1KDM4EALDH1A1GAAHPGD
SCHEMBL23559591 0.70 HCAR3 (0.46) SLC22A12KDM4EALDH1A1GAAHPGD
SCHEMBL17785249 0.66 HCAR3 (0.47) SLC22A12PARP1KDM4EALDH1A1HPGD
SCHEMBL4509480 0.66 SLC22A12 (0.57) SLC22A12KDM4EHCAR3TTR
SCHEMBL30040324 0.66 SLC22A12 (0.57) SLC22A12KDM4EHCAR3TTR
SCHEMBL12342674 0.65 BACE1 (0.38) KDM4ERECQLALDH1A1HPGDHSD17B10
SCHEMBL31632926 0.65 HCAR3 (0.46) SLC22A12PARP1KDM4EALDH1A1HPGD

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 SLC22A12 4004/4885PARP1 1762/4885KDM4E 3935/4885

“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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