SCHEMBL7565218

SCHEMBL7565218

CNCc1ccc(OC)c(N=C(N)c2cccs2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
HTR7 P34969 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43

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 SCHEMBL7568761 0.99 QRFPR (0.46) QRFPRGAAKDM4ELMNANOS3
SCHEMBL7565797 0.87 QRFPR (0.49) QRFPRGAAKDM4ELMNANOS3
Hydrochloric Acid SCHEMBL7565786 0.85 QRFPR (0.47) QRFPRLMNANOS3NOS1NOS2
SCHEMBL7564087 0.79 QRFPR (0.66) QRFPRNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7563787 0.78 QRFPR (0.64) QRFPRNOS3NOS1NOS2
SCHEMBL7970372 0.77 QRFPR (0.47) QRFPRGAAKDM4ELMNANOS3
SCHEMBL22537245 0.77 NOS1 (0.55) QRFPRLMNANOS3NOS1NOS2
SCHEMBL7970386 0.76 LMNA (0.48) QRFPRLMNANOS3NOS1NOS2
Hydrochloric Acid SCHEMBL7960596 0.75 LMNA (0.47) QRFPRLMNANOS3NOS1NOS2
SCHEMBL7567194 0.75 NOS1 (0.42) QRFPRKDM4ENOS3NOS1NOS2

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 1733/4885GAA 980/4885KDM4E 2205/4885

“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.