SCHEMBL16852916

SCHEMBL16852916

CCn1cnc(/C=C/C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MEN1 O00255 2/20 0.38
MAP3K5 Q99683 1/20 0.37
FDPS P14324 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
NFE2L2 Q16236 2/20 0.36
CPB2 Q96IY4 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL16831975 1.00 KMT2A (0.42) KMT2AKDM4ESMN1; SMN2CA12CA1
SCHEMBL14790048 0.88 CPB2 (0.41) KMT2AKDM4ESMN1; SMN2CA12CA1
SCHEMBL6377578 0.87 CA12 (0.44) KDM4ECA12CA1CA2CA7
SCHEMBL6185157 0.87 CA12 (0.44) KDM4ECA12CA1CA2CA7
SCHEMBL16831665 0.83 CPB2 (0.38) KMT2AKDM4ESMN1; SMN2MEN1MAP3K5
SCHEMBL18187139 0.83 CPB2 (0.38) KMT2AKDM4ESMN1; SMN2MEN1MAP3K5
SCHEMBL14790040 0.82 KDM4E (0.40) KMT2AKDM4ESMN1; SMN2CA12CA1
SCHEMBL14790041 0.80 KDM4C (0.38) KMT2AKDM4ESMN1; SMN2CA12CA1
SCHEMBL8169471 0.80 CDK5 (0.45) KMT2AKDM4ESMN1; SMN2ALDH1A1CYP2C9
SCHEMBL8169470 0.80 CDK5 (0.45) KMT2AKDM4ESMN1; SMN2ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 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 (3 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 KMT2A 1623/4885KDM4E 1805/4885SMN1; SMN2 3477/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 KMT2A 1623/4885KDM4E 1805/4885SMN1; SMN2 3477/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 KMT2A 1623/4885KDM4E 1805/4885SMN1; SMN2 3477/4885

“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.