SCHEMBL7563753

SCHEMBL7563753

N=C(Nc1ccc(OC2CCCC2)c(CN2CCCC2)c1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 3/20 0.43
PDE4B Q07343 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ACKR3 P25106 4/20 0.39
NPSR1 Q6W5P4 2/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MET P08581 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
SCHEMBL7565017 0.87 QRFPR (0.52) QRFPRSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL7568582 0.86 QRFPR (0.46) QRFPRPDE4BSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7570402 0.86 QRFPR (0.51) QRFPRSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL7973639 0.85 QRFPR (0.46) QRFPRPDE4BSMN1; SMN2ALDH1A1LMNA
SCHEMBL7599133 0.85 ALDH1A1 (0.40) QRFPRPDE4BUTS2RALDH1A1LMNA
Hydrochloric Acid SCHEMBL7562290 0.85 QRFPR (0.45) QRFPRPDE4BSMN1; SMN2ALDH1A1LMNA
SCHEMBL7570044 0.84 ALDH1A1 (0.50) QRFPRSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL7565602 0.84 QRFPR (0.46) QRFPRPDE4BUTS2RSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7566301 0.83 QRFPR (0.46) QRFPRPDE4BUTS2RSMN1; SMN2ALDH1A1
SCHEMBL7562336 0.82 QRFPR (0.45) QRFPRPDE4BSMN1; SMN2ALDH1A1LMNA

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 QRFPR 1733/4885PDE4B 570/4885UTS2R 787/4885

“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.