SCHEMBL7564264

SCHEMBL7564264

CCC(CC)Oc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
TP53 P04637 1/20 0.53
CYP19A1 P11511 2/20 0.53
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
CTSV O60911 3/20 0.47
CTSL P07711 3/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
ANO2 Q9NQ90 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MYC P01106 1/20 0.42
MAX P61244 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
SCHEMBL7563126 0.86 CYP19A1 (0.54) HTTTP53CYP19A1ALDH1A1MAPT
SCHEMBL728433 0.84 ALDH1A1 (0.54) HTTTP53CYP19A1ALDH1A1MAPT
SCHEMBL5133112 0.83 TP53 (0.50) HTTTP53ALDH1A1MAPTCTSV
SCHEMBL7324196 0.82 TP53 (0.55) HTTTP53ALDH1A1MAPTCTSV
SCHEMBL10024483 0.81 HTT (0.46) HTTTP53ALDH1A1MAPTCTSV
SCHEMBL18113435 0.81 HTT (0.57) HTTTP53ALDH1A1MAPTCTSV
SCHEMBL12065295 0.80 BCL9 (0.59) HTTTP53ALDH1A1MAPTCTSV
SCHEMBL1671926 0.79 CTSV (0.60) HTTTP53ALDH1A1MAPTCTSV
SCHEMBL732933 0.79 TP53 (0.55) HTTTP53CYP19A1ALDH1A1MAPT
SCHEMBL17202413 0.78 ALDH1A1 (0.48) HTTTP53ALDH1A1MAPTCTSV

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
EP-0775221-B1 PROCESS OF MAKING POLYBENZAZOLE NONWOVEN FABRIC TOYO BOSEKI (JP) 2002-12-18 EP 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
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 HTT 2134/4885TP53 4579/4885CYP19A1 808/4885
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 HTT 4725/4885TP53 4855/4885CYP19A1 67/4885

“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.