SCHEMBL7979954

SCHEMBL7979954

CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 9/20 0.67
CDC25B P30305 1/20 0.56
HTT P42858 2/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 2/20 0.48
PTGER4 P35408 1/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL1417655 0.89 HCAR3 (0.51) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL2339865 0.89 HCAR3 (0.74) HCAR3HTTALDH1A1MAPTL3MBTL1
SCHEMBL2250938 0.86 HCAR3 (0.68) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL2253159 0.85 HCAR3 (0.74) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL22382403 0.84 HCAR3 (0.64) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL9251399 0.84 HCAR3 (0.64) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL2245658 0.83 HCAR3 (0.59) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL23873645 0.82 HCAR3 (0.55) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL27268253 0.82 HCAR3 (0.70) HCAR3CDC25BHTTALDH1A1MAPT
SCHEMBL3116351 0.82 ALDH1A1 (0.50) HCAR3HTTALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104356022-B A kind of synthetic method of N-methyl-4-(methylamino)-3-nitrobenzamide 上海应用技术学院 2016-06-08 CN disclosed
CN-104356022-A Synthetic method of N-methyl-4-(methyl amino)-3-nitrobenzamide SHANGHAI INST TECHNOLOGY 2015-02-18 CN disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 HCAR3 765/4885CDC25B 4557/4885HTT 370/4885

“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.