SCHEMBL9944773

SCHEMBL9944773

CCNc1cc(Cl)c(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
KMT2A Q03164 8/20 0.52
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 3/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
KCNMA1 Q12791 1/20 0.47
MEN1 O00255 4/20 0.46
HCAR3 P49019 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 4/20 0.45
POLB P06746 2/20 0.45
MCL1 Q07820 1/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 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
SCHEMBL9944971 0.87 NPC1 (0.52) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9944804 0.87 MAPT (0.48) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9945020 0.86 MAPT (0.55) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL16882061 0.82 HCAR3 (0.49) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9944803 0.81 CYP2C19 (0.52) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9944765 0.79 HCAR3 (0.58) MAPTKMT2AALDH1A1LMNAMEN1
SCHEMBL17008983 0.77 ALDH1A1 (0.56) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL12494815 0.77 ALDH1A1 (0.54) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9944774 0.77 L3MBTL1 (0.48) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9944834 0.75 EGFR (0.49) MAPTKMT2AALDH1A1SMN1; SMN2LMNA

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 MAPT 4336/4885KMT2A 3376/4885ALDH1A1 126/4885

“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.