Sugi Predict

Sugi Predict / Compounds / SCHEMBL7563176

SCHEMBL7563176

SCHEMBL7563176

CCCC(=O)Nc1ccc(OC)c(C(C)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.61
▸ SLC22A1 O15245 1/20 0.61
▸ ADRB2 P07550 1/20 0.61
▸ ADRB1 P08588 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.60
▸ MTNR1B P49286 4/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TP53 P04637 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MTNR1A P48039 2/20 0.50
▸ CDYL Q9Y232 1/20 0.50
▸ ESRRA P11474 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HPGD P15428 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
SCHEMBL7960482 0.92 SLC22A1 (0.54) LMNASLC22A1ADRB2ADRB1HIF1A
SCHEMBL13039940 0.87 LMNA (0.66) LMNASLC22A1ADRB2ADRB1HIF1A
SCHEMBL21852785 0.85 NPC1 (0.64) MTNR1BNPSR1MAPTTP53ALDH1A1
SCHEMBL19445590 0.83 HDAC3 (0.54) LMNASLC22A1ADRB2ADRB1HIF1A
SCHEMBL130408 0.82 ALDH1A1 (0.64) LMNAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL14886137 0.81 MAPT (0.67) LMNANPSR1MAPTTP53ALDH1A1
SCHEMBL378755 0.81 ALDH1A1 (0.64) LMNAKDM4EMTNR1BNPSR1MAPT
SCHEMBL21505012 0.81 ALDH1A1 (0.68) LMNASLC22A1ADRB2ADRB1HIF1A
SCHEMBL7569662 0.81 ALDH1A1 (0.68) LMNASLC22A1ADRB2ADRB1HIF1A
SCHEMBL29401086 0.81 ALDH1A1 (0.68) LMNASLC22A1ADRB2ADRB1HIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014057438-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES KANDULA MAHESH (IN) 2014-04-17 — — WO disclosed
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 LMNA 3069/4885SLC22A1 3752/4885ADRB2 69/4885
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 LMNA 1976/4885SLC22A1 1985/4885ADRB2 455/4885

“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.