SCHEMBL7568708

SCHEMBL7568708

COc1ccc([N+](=O)[O-])cc1CNCCF

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 6/20 0.53
TAAR1 Q96RJ0 1/20 0.53
MAPT P10636 6/20 0.52
HTT P42858 4/20 0.52
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
HTR2A P28223 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CRHBP P24387 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
SCHEMBL1148687 0.88 ALDH1A1 (0.57) CA12CA1CA2CA4CA9
SCHEMBL7602158 0.86 CA12 (0.54) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL7601655 0.85 ALDH1A1 (0.55) CA12CA1CA2CA4CA9
SCHEMBL2835652 0.81 MAPT (0.57) ALDH1A1MAPTHTTTDP1KMT2A
SCHEMBL19462393 0.80 ALDH1A1 (0.48) CA12CA1CA2CA4CA9
SCHEMBL19462415 0.80 ALDH1A1 (0.51) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL7563670 0.80 MAPT (0.56) ALDH1A1TAAR1MAPTHTTTDP1
SCHEMBL2586412 0.78 TDP1 (0.63) ALDH1A1MAPTHTTTDP1KMT2A
SCHEMBL8973475 0.78 TDP1 (0.62) ALDH1A1MAPTHTTTDP1KMT2A
SCHEMBL8964829 0.78 TDP1 (0.62) ALDH1A1MAPTHTTTDP1KMT2A

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 CA12 3848/4885CA1 1513/4885CA2 1248/4885

“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.