SCHEMBL7562849

SCHEMBL7562849

COc1ccc(NC(=N)c2cccs2)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.53
QRFPR Q96P65 2/20 0.53
MEN1 O00255 8/20 0.51
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 2/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KLK7 P49862 1/20 0.46
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 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
SCHEMBL7563822 0.89 KMT2A (0.52) KMT2AQRFPRMEN1ALDH1A1RAB9A
SCHEMBL7564080 0.88 KMT2A (0.51) KMT2AQRFPRMEN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7563160 0.88 KMT2A (0.51) KMT2AQRFPRMEN1ALDH1A1RAB9A
SCHEMBL7562379 0.87 KMT2A (0.44) KMT2AQRFPRMEN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7563782 0.87 KMT2A (0.50) KMT2AQRFPRMEN1ALDH1A1RAB9A
SCHEMBL7600936 0.86 QRFPR (0.48) KMT2AQRFPRMEN1ALDH1A1RAB9A
SCHEMBL7602786 0.86 QRFPR (0.48) KMT2AQRFPRMEN1ALDH1A1RAB9A
SCHEMBL7970401 0.86 QRFPR (0.49) KMT2AQRFPRMEN1ALDH1A1RAB9A
SCHEMBL7567184 0.86 QRFPR (0.49) KMT2AQRFPRMEN1ALDH1A1RAB9A
SCHEMBL7600558 0.85 QRFPR (0.47) KMT2AQRFPRMEN1ALDH1A1RAB9A

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 disclosed
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO 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 (2 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
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 KMT2A 3787/4885QRFPR 1455/4885MEN1 2000/4885

“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.