SCHEMBL1796361

SCHEMBL1796361

Cc1cc2nccn2cc1C(=O)NO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
HDAC6 Q9UBN7 6/20 0.40
FASN P49327 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.37
NAMPT P43490 5/20 0.36
HDAC1 Q13547 5/20 0.35
POLQ O75417 1/20 0.35
CYP2C9 P11712 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL6918010 0.83 GABRP (0.41) MAOBFASNL3MBTL1MCHR1NAMPT
SCHEMBL2013520 0.82 TRIM33 (0.38) MAOBFASNMCHR1NAMPTPOLQ
SCHEMBL24087313 0.81 NNMT (0.41) MAOBFASNL3MBTL1DYRK1A
SCHEMBL31716869 0.73 GABRP (0.38) MAOBFASNL3MBTL1DYRK1A
SCHEMBL12653263 0.73 DYRK1A (0.37) MAOBFASNL3MBTL1CYP2C9DYRK1A
SCHEMBL12618940 0.73 DYRK1A (0.37) MAOBFASNL3MBTL1CYP2C9DYRK1A
SCHEMBL11985799 0.73 L3MBTL1 (0.44) MAOBL3MBTL1DYRK1A
SCHEMBL10513798 0.72 MAOB (0.32) MAOBFASNL3MBTL1NAMPTDYRK1A
SCHEMBL10513801 0.72 MAOB (0.32) MAOBFASNL3MBTL1NAMPTDYRK1A
SCHEMBL407441 0.72 L3MBTL1 (0.49) L3MBTL1DYRK1A

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-2003132-B1 Oxadiazole derivatives as S1P1 agonists ASTELLAS PHARMA INC (JP) 2014-03-05 EP disclosed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP 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-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 MAOB 3718/4885HDAC6 3813/4885FASN 1645/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 MAOB 3718/4885HDAC6 3813/4885FASN 1645/4885

“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.