SCHEMBL7566514

SCHEMBL7566514

CNCc1cc(N=C(N)c2cccs2)ccc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 4/20 0.51
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
NOS1 P29475 5/20 0.49
NOS3 P29474 4/20 0.46
NOS2 P35228 2/20 0.46

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
Hydrochloric Acid SCHEMBL7562399 0.99 QRFPR (0.50) QRFPRHTR2ASLC6A4NOS1NOS3
SCHEMBL7565824 0.89 QRFPR (0.51) QRFPRNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7566312 0.88 QRFPR (0.50) QRFPRNOS1NOS3NOS2
SCHEMBL7563148 0.88 NOS1 (0.55) QRFPRNOS1NOS3NOS2
SCHEMBL7564087 0.87 QRFPR (0.66) QRFPRNOS1NOS3NOS2
SCHEMBL7564249 0.86 QRFPR (0.55) QRFPRNOS1NOS3NOS2
SCHEMBL7562369 0.86 QRFPR (0.46) QRFPRNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7563787 0.86 QRFPR (0.64) QRFPRNOS1NOS3NOS2
SCHEMBL7973650 0.86 NOS1 (0.52) QRFPRNOS1NOS3NOS2
Hydrochloric Acid SCHEMBL7570731 0.85 QRFPR (0.54) QRFPRNOS1NOS3NOS2

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 4 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 claimed
WO-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed
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 QRFPR 1733/4885HTR2A 76/4885SLC6A4 695/4885

“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.