SCHEMBL7565048

SCHEMBL7565048

CCC(CC)Oc1ccc(NC(=N)c2cccs2)cc1CNC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.39
QRFPR Q96P65 2/20 0.39
MEN1 O00255 8/20 0.38
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
KLK7 P49862 1/20 0.37
MAPT P10636 6/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7566369 0.90 QRFPR (0.39) KMT2AQRFPRMEN1ALDH1A1NPC1
SCHEMBL7562875 0.89 KMT2A (0.40) KMT2AQRFPRMEN1ALDH1A1NPC1
SCHEMBL7570363 0.89 KMT2A (0.43) KMT2AQRFPRMEN1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7567157 0.89 QRFPR (0.39) KMT2AQRFPRMEN1ALDH1A1NPC1
SCHEMBL7601237 0.88 ALDH1A1 (0.37) KMT2AQRFPRMEN1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7562377 0.87 KMT2A (0.39) KMT2AQRFPRMEN1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7598756 0.87 ALDH1A1 (0.38) KMT2AQRFPRMEN1ALDH1A1NPC1
SCHEMBL7598866 0.87 QRFPR (0.36) KMT2AQRFPRMEN1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7597175 0.86 QRFPR (0.35) KMT2AQRFPRMEN1ALDH1A1NPC1
SCHEMBL7564080 0.85 KMT2A (0.51) KMT2AQRFPRMEN1ALDH1A1NPC1

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 KMT2A 1679/4885QRFPR 1733/4885MEN1 3127/4885

“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.