SCHEMBL5617536

SCHEMBL5617536

NC(=O)CN1Cc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.63
ITGA2B P08514 10/20 0.63
MAOB P27338 7/20 0.54
MAOA P21397 3/20 0.54
SRD5A1 P18405 1/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL6446421 0.92 ITGB3 (0.57) ITGB3ITGA2BMAOBMAOA
SCHEMBL5617917 0.88 ITGB3 (0.66) ITGB3ITGA2BMAOBMAOA
SCHEMBL6450207 0.83 MAOB (0.56) ITGB3ITGA2BMAOBMAOASRD5A1
SCHEMBL3503559 0.81 ITGB3 (0.57) ITGB3ITGA2BMAOBMAOA
SCHEMBL5617941 0.80 MAOB (0.53) ITGB3ITGA2BMAOBMAOASRD5A1
SCHEMBL4426050 0.78 ITGB3 (0.69) ITGB3ITGA2BMAOBMAOA
SCHEMBL6470666 0.77 ITGB3 (0.72) ITGB3ITGA2BMAOBMAOA
SCHEMBL3504992 0.77 MAOB (0.56) ITGB3ITGA2BMAOBMAOASRD5A1
SCHEMBL20233555 0.76 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL27543696 0.76 MAOB (0.53) ITGB3ITGA2BMAOBMAOASRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
CN-1305848-C 2,3-dihydro-isoindol-1-ones with MAO-B inhibiting activity HOFFMANN LA ROCHE (CH) 2007-03-21 CN claimed
CN-1675181-A 2,3-dihydro-isoindol-1-ones with MAO-B inhibiting activity HOFFMANN LA ROCHE (CH) 2005-09-28 CN claimed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
CN-1305848-C 2,3-dihydro-isoindol-1-ones with MAO-B inhibiting activity HOFFMANN LA ROCHE (CH) 2007-03-21 CN disclosed
CN-1675181-A 2,3-dihydro-isoindol-1-ones with MAO-B inhibiting activity HOFFMANN LA ROCHE (CH) 2005-09-28 CN disclosed
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6846832-B2 2,3-dihydro-isoindol-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-25 US disclosed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ITGB3 3604/4885ITGA2B 2593/4885MAOB 1/4885
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives MAOB, MAOA, COMT ITGB3 3485/4885ITGA2B 2584/4885MAOB 1/4885

“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.