SCHEMBL6697161

SCHEMBL6697161

O=C(O)CC(c1c[nH]c2cc(OCCCNc3ncc[nH]3)ccc12)c1cccc2nsnc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
CASP1 P29466 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ITGB3 P05106 4/20 0.32
ITGAV P06756 4/20 0.32
ITGB1 P05556 2/20 0.32
ITGB5 P18084 2/20 0.32
ITGB6 P18564 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
HSD17B2 P37059 1/20 0.32
CASP7 P55210 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32

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 SCHEMBL6701540 0.96 ITGB3 (0.32) SMN1; SMN2ALDH1A1KDM4EHPGDCASP1
SCHEMBL6698124 0.88 ITGB3 (0.46) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6701394 0.86 ITGB3 (0.39) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6695495 0.85 ITGB3 (0.38) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6160985 0.84 MGAM (0.42) ITGB3ITGAVITGB1ITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6699200 0.84 ITGB3 (0.45) ITGB3ITGAVITGB1ITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6697687 0.82 ITGAV (0.37) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6162318 0.82 MGAM (0.37) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6698733 0.82 MGAM (0.48) ITGB3ITGAVITGB1ITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6697083 0.81 ITGB3 (0.37) ITGB3ITGAVITGB1ITGB5ITGB6

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 SMN1; SMN2 1683/4885ALDH1A1 2063/4885KDM4E 3529/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R SMN1; SMN2 2180/4885ALDH1A1 2529/4885KDM4E 2672/4885

“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.