SCHEMBL4910027

SCHEMBL4910027

COCc1nc(CO)cn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
POLB P06746 1/20 0.48
IDO1 P14902 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN11 Q06124 2/20 0.38
LMNA P02545 4/20 0.37
PTGS2 P35354 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36

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
SCHEMBL4907556 0.88 IDO1 (0.39) MAPTPOLBIDO1MEN1NPC1
SCHEMBL5376248 0.74 MAPT (0.43) MAPTPOLBIDO1MEN1KMT2A
SCHEMBL16553585 0.69 PTGS2 (0.47) MAPTPOLBMEN1KMT2APTGS2
SCHEMBL2475033 0.69 GABRA5 (0.46) MAPTMEN1NPC1KMT2ARAB9A
SCHEMBL6775675 0.67 PDE10A (0.33) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL3746738 0.66 PDE4A (0.46) MAPTPOLBMEN1KMT2AHTT
SCHEMBL1698972 0.66 MAPT (0.52) MAPTPOLBHTTALDH1A1SMN1; SMN2
SCHEMBL5924217 0.66 CA12 (0.61) MAPTPOLBL3MBTL1PTGS2
SCHEMBL7885254 0.66 AR (0.47) MAPTPOLBMEN1KMT2AHTT
SCHEMBL31274003 0.65 HTT (0.62) MAPTPOLBMEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 MAPT 248/4885POLB 275/4885IDO1 991/4885

“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.