SCHEMBL10035129

SCHEMBL10035129

Cc1ncccc1CN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.50
METAP2 P50579 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CXCR4 P61073 1/20 0.47
HRH1 P35367 1/20 0.46
POLB P06746 1/20 0.45
MCL1 Q07820 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 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
SCHEMBL18753897 0.82 HTR6 (0.53) L3MBTL1METAP2HRH1POLBSMN1; SMN2
SCHEMBL27854561 0.81 CYP2A13 (0.53) CYP2A13L3MBTL1METAP2NPC1RAB9A
SCHEMBL1082848 0.81 CYP2A13 (0.57) CYP2A13L3MBTL1METAP2NPC1RAB9A
SCHEMBL5259944 0.81 CYP2A13 (0.61) CYP2A13L3MBTL1METAP2NPC1RAB9A
SCHEMBL929136 0.78 METAP2 (0.51) CYP2A13L3MBTL1METAP2NPC1RAB9A
SCHEMBL9631662 0.78 CYP2A13 (0.50) CYP2A13L3MBTL1METAP2NPC1RAB9A
SCHEMBL10035128 0.77 EGLN1 (0.60) CYP2A13CXCR4MEN1ALDH1A1KMT2A
SCHEMBL28158491 0.77 CYP2A13 (0.49) CYP2A13L3MBTL1METAP2NPC1RAB9A
SCHEMBL19667049 0.77 CYP2A13 (0.49) CYP2A13L3MBTL1METAP2NPC1RAB9A
SCHEMBL930502 0.77 CYP11B1 (0.52) CYP2A13L3MBTL1METAP2NPC1RAB9A

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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 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 (1 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN CYP2A13 172/4885L3MBTL1 3290/4885METAP2 2692/4885

“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.