SCHEMBL273137

SCHEMBL273137

O=Cc1cccc(OCc2cnc(Cl)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.55
MAOB P27338 7/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4842646 0.84 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28983376 0.77 CYP1A2 (0.74) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL13347808 0.76 L3MBTL1 (0.69) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL12517042 0.75 MAOA (0.59) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL278404 0.75 L3MBTL1 (0.70) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2208410 0.75 MAOA (0.62) MAOAMAOBKMT2ARAB9ANPC1
SCHEMBL271786 0.74 MAOA (0.54) MAOAMAOBKMT2ARAB9ANPC1
SCHEMBL30821439 0.74 MAOB (0.74) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL8985612 0.74 MAOB (0.74) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL29956332 0.73 MAOB (0.63) MAOAMAOBRAB9ANPC1TDP1

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
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
WO-2008121506-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 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-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 MAOA 395/4885MAOB 309/4885CYP1A2 121/4885
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT MAOA 193/4885MAOB 133/4885CYP1A2 165/4885

“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.