SCHEMBL7563353

SCHEMBL7563353

COc1ccc([N+](=O)[O-])cc1C(=O)NCCF

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
NPC1 O15118 2/20 0.65
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.54
PKM P14618 2/20 0.50
GAA P10253 1/20 0.50
KCNMA1 Q12791 1/20 0.48
LMNA P02545 2/20 0.47
KCNH2 Q12809 1/20 0.47
MAPK1 P28482 1/20 0.47
RORC P51449 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7598689 0.88 KMT2A (0.67) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL12041020 0.84 MEN1 (0.62) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL28933885 0.82 MEN1 (0.59) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL1531324 0.81 POLB (0.60) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL728206 0.81 MEN1 (0.57) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL7563977 0.80 MAPT (0.66) MEN1KMT2ANPC1MAPTPKM
SCHEMBL6590271 0.80 MEN1 (0.57) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL7566156 0.79 HTR2A (0.51) ALDH1A1LMNAKCNH2
SCHEMBL5975940 0.78 PPARA (0.66) MEN1KMT2ANPC1POLB
SCHEMBL570064 0.78 TDP1 (0.57) MEN1KMT2ANPC1MAPTALDH1A1

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-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 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-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain OPRM1, HIF1AN, MAOB MEN1 3127/4885KMT2A 1679/4885NPC1 1595/4885

“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.