SCHEMBL7565602

SCHEMBL7565602

CNCc1cc(NC(=N)c2cccs2)ccc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 3/20 0.46
PDE4B Q07343 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
C5AR1 P21730 1/20 0.38
P2RX4 Q99571 1/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.36

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 SCHEMBL7566301 0.99 QRFPR (0.46) QRFPRPDE4BNPY1RNPY2RPOLB
SCHEMBL7562336 0.90 QRFPR (0.45) QRFPRPDE4BNPY1RNPY2RPOLB
Hydrochloric Acid SCHEMBL7566506 0.89 QRFPR (0.44) QRFPRPDE4BNPY1RNPY2RPOLB
SCHEMBL7568582 0.88 QRFPR (0.46) QRFPRPDE4BPOLBKMT2AALDH1A1
SCHEMBL7973639 0.87 QRFPR (0.46) QRFPRPDE4BPOLBKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7562290 0.86 QRFPR (0.45) QRFPRPDE4BNPY1RNPY2RPOLB
SCHEMBL7564080 0.85 KMT2A (0.51) QRFPRKMT2AALDH1A1HTTLMNA
SCHEMBL7563753 0.84 QRFPR (0.43) QRFPRPDE4BKMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL7563782 0.84 KMT2A (0.50) QRFPRKMT2AALDH1A1HTTLMNA
SCHEMBL7598660 0.83 CARM1 (0.44) QRFPRPDE4BPOLBKMT2AALDH1A1

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 1733/4885PDE4B 570/4885NPY1R 42/4885

“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.