SCHEMBL13665331

SCHEMBL13665331

COc1ccc(OC=N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
LTA4H P09960 2/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2A6 P11509 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL13665333 0.79 ACHE (0.48) CA1CA2CA9ACHEALDH1A1
SCHEMBL10637381 0.78 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL16301035 0.77 ELANE (0.38) CA1CA2CA7CA9CA12
SCHEMBL13665342 0.77 ACHE (0.50) CA1CA2CA7CA9ACHE
1,4-Dimethoxybenzene SCHEMBL8489 0.76 CA1 (1.00) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.76 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL354673 0.76 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL14181585 0.75 CA2 (0.61) CA1CA2CA7CA9CA12
SCHEMBL274124 0.74 CA1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL13665389 0.74 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRSMN1; SMN2MEN1

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
WO-2010013086-A1 PHOSPHORYLATED DENDRIMERS AS ANTIINFLAMMATORY DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-02-04 WO 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 CA1 4735/4885CA2 3257/4885CA7 3795/4885

“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.