SCHEMBL3021083

SCHEMBL3021083

COc1ccccc1OC=N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA12 O43570 1/20 0.62
CA4 P22748 1/20 0.62
CA14 Q9ULX7 1/20 0.62
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 2/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 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
Hydrochloric Acid SCHEMBL28454112 0.98 CA1 (0.59) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL28937033 0.96 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL10640652 0.80 CA1 (0.68) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL5308636 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29351917 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL105872 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL536189 0.78 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL30445994 0.76 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL779616 0.76 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL13665348 0.76 TSHR (0.43) CA1CA2CA7CA9CA12

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-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
US-8956624-B2 Compositions and methods for treating skin with extract from Trametes ELC MANAGEMENT, LLC (US) 2015-02-17 US disclosed
US-20100203077-A1 Compositions And Methods For Treating Skin With Extract From Trametes ELC MANAGEMENT LLC 2010-08-12 US 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 (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-20100203077-A1 Compositions And Methods For Treating Skin With Extract From Trametes TYR, CUTA, BRAF CA1 4883/4885CA2 4783/4885CA7 4076/4885
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.