SCHEMBL7565017

SCHEMBL7565017

COc1ccc(NC(=N)c2cccs2)cc1CN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.52
KDM4E B2RXH2 4/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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 SCHEMBL7570402 0.99 QRFPR (0.51) QRFPRKDM4ERECQLL3MBTL1KMT2A
SCHEMBL7570873 0.93 KDM4E (0.52) QRFPRKDM4ERECQLKMT2ATDP1
Hydrochloric Acid SCHEMBL7566290 0.92 KDM4E (0.51) QRFPRKDM4ERECQLL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL7971724 0.90 SMN1; SMN2 (0.48) QRFPRKDM4ERECQLKMT2ATDP1
SCHEMBL7570044 0.89 ALDH1A1 (0.50) QRFPRKDM4ERECQLKMT2AALDH1A1
SCHEMBL7563753 0.87 QRFPR (0.43) QRFPRKDM4ERECQLKMT2AALDH1A1
SCHEMBL7602441 0.83 QRFPR (0.49) QRFPRKDM4ERECQLKMT2AALDH1A1
SCHEMBL7605866 0.83 QRFPR (0.49) QRFPRKDM4ERECQLKMT2AALDH1A1
SCHEMBL7562849 0.83 KMT2A (0.53) QRFPRKDM4EL3MBTL1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7602946 0.83 QRFPR (0.48) QRFPRKDM4ERECQLKMT2AALDH1A1

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 3 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
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 QRFPR 1733/4885KDM4E 2205/4885RECQL 2980/4885

“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.