SCHEMBL9944846

SCHEMBL9944846

CCNC(=O)c1cc([N+](=O)[O-])c(NC)cc1N1CCC(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MAPT P10636 7/20 0.47
MAPK1 P28482 5/20 0.47
CTPS1 P17812 1/20 0.46
GPR174 Q9BXC1 3/20 0.45
ALDH1A1 P00352 7/20 0.45
GAA P10253 2/20 0.45
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL9944808 0.92 KMT2A (0.46) KMT2AMAPTMAPK1CTPS1GPR174
SCHEMBL9944820 0.92 ALDH1A1 (0.39) KMT2AMAPTMAPK1GPR174ALDH1A1
SCHEMBL9944753 0.88 ALDH1A1 (0.39) KMT2AMAPTMAPK1CTPS1GPR174
SCHEMBL9944759 0.84 GPR174 (0.52) KMT2AMAPTMAPK1CTPS1GPR174
SCHEMBL9944993 0.83 ALDH1A1 (0.40) KMT2AMAPTMAPK1ALDH1A1GAA
SCHEMBL9944847 0.82 ALDH1A1 (0.43) KMT2AMAPTMAPK1ALDH1A1GAA
SCHEMBL9944828 0.81 MAPT (0.43) KMT2AMAPTMAPK1CTPS1GPR174
SCHEMBL9944743 0.81 MAPT (0.42) KMT2AMAPTMAPK1CTPS1GPR174
SCHEMBL9944825 0.81 POLB (0.44) KMT2AMAPTMAPK1CTPS1GPR174
SCHEMBL9944769 0.80 MAPT (0.48) KMT2AMAPTMAPK1ALDH1A1GAA

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 KMT2A 3376/4885MAPT 4336/4885MAPK1 1240/4885

“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.