SCHEMBL7568613

SCHEMBL7568613

CCCOc1ccc([N+](=O)[O-])cc1CNC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.57
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
ALDH1A1 P00352 3/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MAPT P10636 6/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TBXA2R P21731 2/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL217089 0.83 CYP19A1 (0.56) CYP19A1NPBWR1MCHR1ALDH1A1TAAR1
SCHEMBL2835652 0.82 MAPT (0.57) ALDH1A1MAPTKMT2ALMNANPSR1
SCHEMBL28874849 0.81 LTA4H (0.53) NPBWR1MCHR1ALDH1A1TAAR1KMT2A
Hydrochloric Acid SCHEMBL7563670 0.81 MAPT (0.56) NPBWR1MCHR1ALDH1A1TAAR1MAPT
SCHEMBL4226708 0.81 CYP19A1 (0.63) CYP19A1ALDH1A1MAPTKMT2ALMNA
SCHEMBL11798321 0.80 KMT2A (0.65) CYP19A1ALDH1A1MAPTKMT2ALMNA
SCHEMBL8973132 0.78 CYP19A1 (0.57) CYP19A1ALDH1A1MAPTKMT2ALMNA
SCHEMBL8163363 0.78 NPBWR1 (0.44) NPBWR1MCHR1ALDH1A1TAAR1MAPT
SCHEMBL8156901 0.78 MAPT (0.46) CYP19A1NPBWR1MCHR1ALDH1A1TAAR1
SCHEMBL6815842 0.77 MAPT (0.71) CYP19A1ALDH1A1MAPTKMT2ALMNA

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 808/4885NPBWR1 678/4885MCHR1 228/4885

“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.