SCHEMBL7564313

SCHEMBL7564313

CCC(CC)Oc1ccc(NC(=N)c2cccs2)cc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 6/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALOX15 P16050 1/20 0.40
QRFPR Q96P65 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7562882 0.88 KMT2A (0.51) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7570783 0.86 KMT2A (0.58) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7973635 0.82 KMT2A (0.45) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7562875 0.82 KMT2A (0.40) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7563947 0.81 KMT2A (0.47) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7565048 0.80 KMT2A (0.39) KMT2AMEN1RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7562377 0.80 KMT2A (0.39) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7564327 0.79 QRFPR (0.46) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7566369 0.78 QRFPR (0.39) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL7602422 0.78 QRFPR (0.36) KMT2AMEN1RAB9ASMN1; SMN2NPC1

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-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
WO-2001046171-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 3127/4885RAB9A 2045/4885
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 KMT2A 3787/4885MEN1 2000/4885RAB9A 3673/4885

“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.