SCHEMBL9944832

SCHEMBL9944832

CCNc1cc(NC)c([N+](=O)[O-])cc1C(=O)NC1CC(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.36
KDM1A O60341 1/20 0.34
CDC25B P30305 1/20 0.33
DCTPP1 Q9H773 1/20 0.33

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
SCHEMBL9944827 0.84 KDM1A (0.40) HCAR3ALDH1A1MAPTL3MBTL1HTT
SCHEMBL9944833 0.82 KDM1A (0.36) ALDH1A1MAPTHTTKDM1A
SCHEMBL9944735 0.81 ALDH1A1 (0.42) HCAR3ALDH1A1MAPTCDC25B
SCHEMBL9899508 0.78 PTGES (0.44) HCAR3ALDH1A1MAPTL3MBTL1CDC25B
SCHEMBL9899506 0.78 PTGES (0.44) HCAR3ALDH1A1MAPTL3MBTL1CDC25B
SCHEMBL9944828 0.77 MAPT (0.43) ALDH1A1MAPTHTTLMNA
SCHEMBL9944895 0.73 ALDH1A1 (0.42) HCAR3ALDH1A1MAPTLMNA
SCHEMBL9947086 0.73 ALDH1A1 (0.46) HCAR3ALDH1A1L3MBTL1HTTCDC25B
SCHEMBL12494815 0.72 ALDH1A1 (0.54) HCAR3ALDH1A1MAPTL3MBTL1HTT
SCHEMBL12495181 0.72 ALDH1A1 (0.48) HCAR3ALDH1A1MAPTL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES HCAR3 228/4885ALDH1A1 126/4885MAPT 4336/4885

“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.