SCHEMBL13665342

SCHEMBL13665342

COc1cccc(OC=N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CHRM5 P08912 1/20 0.47
RELA Q04206 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MAOB P27338 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ENPP2 Q13822 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43

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
1,3-Dimethoxybenzene SCHEMBL901285 0.81 ACHE (0.70) ACHESMN1; SMN2CYP3A4ALDH1A1CA1
1,3-Dimethoxybenzene SCHEMBL9350 0.81 ACHE (0.70) ACHESMN1; SMN2CYP3A4ALDH1A1CA1
SCHEMBL535411 0.80 ACHE (0.52) ACHESMN1; SMN2CYP3A4ALDH1A1CA1
SCHEMBL13480728 0.78 ACHE (0.50) ACHESMN1; SMN2CYP3A4ALDH1A1CA1
SCHEMBL98036 0.78 ACHE (0.50) ACHESMN1; SMN2CYP3A4ALDH1A1CA1
1,3-Dimethoxybenzene SCHEMBL7860661 0.78 ACHE (0.67) ACHESMN1; SMN2CYP3A4ALDH1A1CA1
1,3-Dimethoxybenzene SCHEMBL28343465 0.78 ACHE (0.67) ACHESMN1; SMN2CYP3A4ALDH1A1CA1
1,3-Dimethoxybenzene SCHEMBL28542304 0.78 ACHE (0.67) ACHESMN1; SMN2CYP3A4ALDH1A1CA1
1,3-Dimethoxybenzene SCHEMBL15870025 0.78 ACHE (0.67) ACHESMN1; SMN2CYP3A4ALDH1A1CA1
1,3-Dimethoxybenzene SCHEMBL28068595 0.78 ACHE (0.67) ACHESMN1; SMN2CYP3A4ALDH1A1CA1

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
EP-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 EP disclosed
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 ACHE 4528/4885SMN1; SMN2 3100/4885CYP3A4 2215/4885

“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.