SCHEMBL21343994

SCHEMBL21343994

CNc1c(N=O)cc(C(=O)OC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ CNR2 P34972 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ POLB P06746 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40

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
SCHEMBL10682199 0.85 MAPT (0.51) MAPTCNR2KDM4EALDH1A1CA1
SCHEMBL21729793 0.81 GAA (0.50) MAPTCNR2KDM4EALDH1A1CA1
SCHEMBL23159630 0.79 CNR2 (0.48) MAPTCNR2KDM4EALDH1A1CA1
SCHEMBL20121418 0.79 MAPT (0.46) MAPTCNR2KDM4EALDH1A1CA1
SCHEMBL18940647 0.78 KDM4E (0.49) MAPTCNR2KDM4EALDH1A1CA1
Hydrochloric Acid SCHEMBL18940563 0.76 KDM4E (0.47) MAPTCNR2KDM4EALDH1A1CA1
Hydrochloric Acid SCHEMBL31215291 0.76 KDM4E (0.47) MAPTCNR2KDM4EALDH1A1CA1
SCHEMBL24422981 0.76 MAPT (0.58) MAPTKDM4EALDH1A1CA1CA2
SCHEMBL22872098 0.73 CA1 (0.46) MAPTCNR2KDM4EALDH1A1CA1
SCHEMBL15551607 0.73 VCAM1 (0.48) MAPTKDM4EALDH1A1CYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703741-B2 Covalent inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2020-07-07 — — US disclosed
US-20190276432-A1 COVALENT INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2019-09-12 — — 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-10703741-B2 Covalent inhibitors of PAD4 PADI4, PADI1, PADI6 MAPT 3994/4885CNR2 4700/4885KDM4E 45/4885
US-20190276432-A1 COVALENT INHIBITORS OF PAD4 PADI4, PADI1, PADI6 MAPT 3994/4885CNR2 4700/4885KDM4E 45/4885

“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.

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