SCHEMBL7655673

SCHEMBL7655673

CCOC(=O)CC(=O)CCc1nn(C)c2cc(C(=O)OC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ TLR7 Q9NYK1 4/20 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
SCHEMBL7658563 0.83 ALDH1A1 (0.43) NPC1ALDH1A1KMT2AHPGDMAPT
SCHEMBL27272748 0.80 SLC22A12 (0.44) NPC1ALDH1A1MEN1KMT2AHPGD
SCHEMBL28472884 0.79 TLR8 (0.41) NPC1ALDH1A1KMT2AHPGDMAPT
SCHEMBL7658111 0.78 KDM4E (0.37) LMNANPC1ALDH1A1MEN1KMT2A
SCHEMBL8682731 0.78 KDM4E (0.39) LMNANPC1ALDH1A1MEN1KMT2A
SCHEMBL28468125 0.78 LOXL2 (0.46) NPC1ALDH1A1KMT2AHPGDMAPT
SCHEMBL7656202 0.78 KDM4E (0.38) NPC1ALDH1A1KMT2AHPGDMAPT
SCHEMBL28019314 0.76 GRM4 (0.44) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL23559707 0.74 ADORA2A (0.47) LMNAALDH1A1HPGDMAPTHSD17B10
SCHEMBL27541375 0.73 SLC22A12 (0.47) LMNAALDH1A1MEN1KMT2AMAPT

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 LMNA 2846/4885NPC1 3737/4885ALDH1A1 2216/4885

“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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