SCHEMBL7566508

SCHEMBL7566508

CNCc1cc(NC(=N)c2cccs2)ccc1Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.50
HTR2A P28223 6/20 0.50
ATM Q13315 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
KCNH2 Q12809 3/20 0.41
KMT2A Q03164 3/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
QRFPR Q96P65 2/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
KLK7 P49862 1/20 0.38

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 SCHEMBL7562396 0.99 SLC6A4 (0.49) SLC6A4HTR2AATMHRH3KCNH2
SCHEMBL7565818 0.89 ATM (0.40) SLC6A4HTR2AATMKMT2AQRFPR
SCHEMBL7563123 0.88 ATM (0.44) ATMKMT2AQRFPRMEN1NPC1
Hydrochloric Acid SCHEMBL7566307 0.88 ATM (0.39) SLC6A4HTR2AATMKMT2AQRFPR
SCHEMBL7973644 0.87 ATM (0.44) ATMKMT2AQRFPRMEN1NPC1
SCHEMBL7564080 0.86 KMT2A (0.51) KMT2AQRFPRMEN1NPC1RAB9A
SCHEMBL7564238 0.86 ATM (0.40) SLC6A4HTR2AATMHRH3KMT2A
Hydrochloric Acid SCHEMBL7562887 0.86 ATM (0.43) ATMKMT2AQRFPRMEN1NPC1
Hydrochloric Acid SCHEMBL7570727 0.85 ATM (0.39) SLC6A4HTR2AATMHRH3KMT2A
SCHEMBL7562365 0.85 ATM (0.39) SLC6A4HTR2AATMKMT2AQRFPR

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 SLC6A4 695/4885HTR2A 76/4885ATM 2363/4885

“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.