SCHEMBL7564327

SCHEMBL7564327

COC(=O)c1cc(NC(=N)c2cccs2)ccc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 4/20 0.46
PDE4B Q07343 2/20 0.46
MEN1 O00255 3/20 0.46
PDE5A O76074 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41

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 0.86 KMT2A (0.58) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7598693 0.83 KMT2A (0.47) QRFPRPOLBKMT2AMEN1ALDH1A1
SCHEMBL7562882 0.82 KMT2A (0.51) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7563947 0.81 KMT2A (0.47) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7568582 0.80 QRFPR (0.46) QRFPRPOLBKMT2APDE4BMEN1
SCHEMBL7564313 0.79 KMT2A (0.46) QRFPRPOLBKMT2AMEN1ALDH1A1
SCHEMBL7565602 0.79 QRFPR (0.46) QRFPRPOLBKMT2APDE4BMEN1
SCHEMBL7973639 0.79 QRFPR (0.46) QRFPRPOLBKMT2APDE4BMEN1
Hydrochloric Acid SCHEMBL7566301 0.78 QRFPR (0.46) QRFPRPOLBKMT2APDE4BMEN1
SCHEMBL7973635 0.78 KMT2A (0.45) QRFPRKMT2AMEN1ALDH1A1SMN1; SMN2

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 QRFPR 1733/4885POLB 894/4885KMT2A 1679/4885
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 QRFPR 1455/4885POLB 2899/4885KMT2A 3787/4885

“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.