SCHEMBL7565818

SCHEMBL7565818

CC(C)NCc1cc(NC(=N)c2cccs2)ccc1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
QRFPR Q96P65 2/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
CCR5 P51681 1/20 0.36
KLK7 P49862 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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 SCHEMBL7566307 0.99 ATM (0.39) ATMQRFPRKMT2AMEN1LMNA
SCHEMBL7566508 0.89 SLC6A4 (0.50) ATMQRFPRKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL7562396 0.88 SLC6A4 (0.49) ATMQRFPRKMT2AMEN1LMNA
SCHEMBL7569684 0.87 QRFPR (0.51) QRFPRKMT2AMEN1LMNAMAPT
SCHEMBL7570769 0.86 QRFPR (0.43) QRFPRKMT2AMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL7568742 0.85 QRFPR (0.43) QRFPRKMT2AMEN1LMNAMAPT
SCHEMBL7563123 0.85 ATM (0.44) ATMQRFPRKMT2AMEN1LMNA
SCHEMBL7973644 0.84 ATM (0.44) ATMQRFPRKMT2AMEN1LMNA
SCHEMBL7564238 0.84 ATM (0.40) ATMQRFPRKMT2AMEN1LMNA
SCHEMBL7566369 0.84 QRFPR (0.39) QRFPRKMT2AMEN1LMNAMAPT

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 ATM 2363/4885QRFPR 1733/4885KMT2A 1679/4885

“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.