SCHEMBL4398696

SCHEMBL4398696

CCOC(=O)c1cnc2ccc(Cl)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.56
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK10 P53779 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL7020196 0.95 CYP2C9 (0.55) MAOBSIRT2SIRT1SIRT3NPC1
SCHEMBL2204650 0.89 MAOB (0.65) MAOBSIRT2SIRT1SIRT3NPC1
SCHEMBL26680685 0.84 MAOB (0.56) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL29793278 0.84 MAOB (0.56) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL29940590 0.84 RXFP1 (0.53) MAPTKDM4EL3MBTL1ALOX15POLB
SCHEMBL846386 0.83 TSHR (0.61) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL2205670 0.83 ALDH1A1 (0.52) MAOBSIRT2NPC1RAB9AMEN1
SCHEMBL26681960 0.83 MAOB (0.61) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL26798599 0.83 LMNA (0.54) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL5049838 0.82 MAOB (0.51) MAOBNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 MAOB 45/4885SIRT2 2073/4885SIRT1 1543/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 MAOB 45/4885SIRT2 2073/4885SIRT1 1543/4885

“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.