SCHEMBL7564016

SCHEMBL7564016

CCCOc1ccc(NC(=N)c2cccs2)cc1CNC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
MAPT P10636 6/20 0.39
HSD17B10 Q99714 1/20 0.39
QRFPR Q96P65 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ADRB2 P07550 1/20 0.38
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 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 SCHEMBL7569075 0.99 KMT2A (0.42) KMT2AMEN1MAPTHSD17B10QRFPR
SCHEMBL7564080 0.86 KMT2A (0.51) KMT2AMEN1MAPTHSD17B10QRFPR
Hydrochloric Acid SCHEMBL7563782 0.85 KMT2A (0.50) KMT2AMEN1MAPTHSD17B10QRFPR
SCHEMBL7565048 0.84 KMT2A (0.39) KMT2AMEN1MAPTHSD17B10QRFPR
SCHEMBL7570363 0.83 KMT2A (0.43) KMT2AMEN1MAPTQRFPRL3MBTL1
SCHEMBL7566508 0.83 SLC6A4 (0.50) KMT2AMEN1QRFPRALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7562396 0.82 SLC6A4 (0.49) KMT2AMEN1MAPTQRFPRALDH1A1
SCHEMBL7565602 0.81 QRFPR (0.46) KMT2AMEN1MAPTQRFPRALDH1A1
Hydrochloric Acid SCHEMBL7563379 0.80 KMT2A (0.47) KMT2AMEN1MAPTHSD17B10QRFPR
Hydrochloric Acid SCHEMBL7566301 0.80 QRFPR (0.46) KMT2AMEN1MAPTQRFPRALDH1A1

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 1679/4885MEN1 3127/4885MAPT 986/4885

“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.