SCHEMBL7563741

SCHEMBL7563741

CNC(=O)c1cc([N+](=O)[O-])ccc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.55
MAPT P10636 6/20 0.54
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
PTGES O14684 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
PTGS1 P23219 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7564197 0.87 CYP19A1 (0.55) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7569979 0.85 CYP19A1 (0.52) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL30781120 0.85 CYP19A1 (0.52) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL30780941 0.82 ALDH1A1 (0.49) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL5970555 0.81 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1531324 0.81 POLB (0.60) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL27992223 0.78 CYP19A1 (0.55) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL17344098 0.77 MAPT (0.62) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL1157335 0.77 CYP19A1 (0.61) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL8973852 0.76 CYP19A1 (0.56) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2

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 CYP19A1 808/4885MAPT 986/4885ALDH1A1 784/4885

“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.