SCHEMBL9944984

SCHEMBL9944984

CNc1cc(N(C)Cc2nc(C)n[nH]2)c(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.40
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 6/20 0.40
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.37
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
RECQL P46063 2/20 0.36
PKM P14618 1/20 0.36
KCNMA1 Q12791 1/20 0.35

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
SCHEMBL9944974 0.82 MAPT (0.47) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9945001 0.82
SCHEMBL9944940 0.81 RAB9A (0.36) ALDH1A1NPC1RAB9A
SCHEMBL9944971 0.72 NPC1 (0.52) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9944732 0.69 EGFR (0.51) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9946625 0.67 SPR (0.39)
SCHEMBL9898699 0.67 EGFR (0.47) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9944975 0.66 HSD17B10 (0.40) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9944982 0.65 L3MBTL1 (0.55) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9944938 0.64 ALDH1A1 (0.36) ALDH1A1LMNANPC1RAB9A

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 4336/4885ALDH1A1 126/4885KMT2A 3376/4885

“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.