SCHEMBL7564256

SCHEMBL7564256

COc1ccc(NC(=N)c2cccs2)cc1C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
RAB9A P51151 4/20 0.59
TP53 P04637 2/20 0.59
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
GRM4 Q14833 1/20 0.52
KDM4E B2RXH2 3/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
QRFPR Q96P65 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL7570783 0.90 KMT2A (0.58) KMT2AMEN1SMN1; SMN2RAB9ATP53
Hydrochloric Acid SCHEMBL7563954 0.87 KMT2A (0.58) KMT2AMEN1SMN1; SMN2RAB9ATP53
SCHEMBL7564319 0.82 KMT2A (0.53) KMT2AMEN1SMN1; SMN2RAB9ATP53
Hydrochloric Acid SCHEMBL7598643 0.82 KMT2A (0.53) KMT2AMEN1SMN1; SMN2RAB9ATP53
SCHEMBL4393551 0.82 KMT2A (0.72) KMT2AMEN1SMN1; SMN2RAB9ATP53
SCHEMBL7562882 0.81 KMT2A (0.51) KMT2AMEN1SMN1; SMN2RAB9ATP53
Hydrochloric Acid SCHEMBL4406106 0.81 KMT2A (0.70) KMT2AMEN1SMN1; SMN2RAB9ATP53
SCHEMBL7562849 0.79 KMT2A (0.53) KMT2AMEN1SMN1; SMN2RAB9ATP53
SCHEMBL7563947 0.78 KMT2A (0.47) KMT2AMEN1SMN1; SMN2RAB9ATP53
SCHEMBL7563822 0.78 KMT2A (0.52) KMT2AMEN1SMN1; SMN2RAB9ATP53

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 1679/4885MEN1 3127/4885SMN1; SMN2 610/4885
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 KMT2A 3787/4885MEN1 2000/4885SMN1; SMN2 1582/4885

“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.