SCHEMBL6701394

SCHEMBL6701394

O=C(O)CC(c1cccc2ccccc12)c1c[nH]c2cc(OCCCNc3ncc[nH]3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGAV P06756 6/20 0.39
MGAM O43451 5/20 0.39
GAA P10253 5/20 0.39
SI P14410 5/20 0.39
MGAM2 Q2M2H8 5/20 0.39
ITGA2B P08514 3/20 0.39
ITGB1 P05556 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
GCGR P47871 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 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
Trifluoroacetic Acid SCHEMBL6697687 0.96 ITGAV (0.37) ITGB3ITGAVMGAMGAASI
SCHEMBL6697695 0.90 ITGB3 (0.36) ITGB3ITGAVMGAMGAASI
SCHEMBL6695495 0.89 ITGB3 (0.38) ITGB3ITGAVMGAMGAASI
SCHEMBL6160985 0.89 MGAM (0.42) ITGB3ITGAVMGAMGAASI
SCHEMBL6694756 0.89 MGAM (0.45) ITGB3ITGAVMGAMGAASI
SCHEMBL6696239 0.88 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
Trifluoroacetic Acid SCHEMBL6697083 0.86 ITGB3 (0.37) ITGB3ITGAVMGAMGAASI
SCHEMBL6697161 0.86 SMN1; SMN2 (0.33) ITGB3ITGAVGAAITGB1ITGB5
Trifluoroacetic Acid SCHEMBL6163731 0.85 ITGB3 (0.40) ITGB3ITGAVMGAMGAASI
Trifluoroacetic Acid SCHEMBL6697764 0.85 MGAM (0.42) ITGB3ITGAVMGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 US disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 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 (2 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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 ITGB3 3/4885ITGAV 67/4885MGAM 811/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R ITGB3 1/4885ITGAV 35/4885MGAM 1542/4885

“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.