SCHEMBL3628443

SCHEMBL3628443

O=C(O)/C=C/c1cncc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NFKB1 P19838 1/20 0.47
CA4 P22748 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
NPY1R P25929 1/20 0.47
MAPK1 P28482 1/20 0.47
NPY2R P49146 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1B1 Q16678 1/20 0.47
RAB9A P51151 1/20 0.45

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
SCHEMBL3628444 1.00 KMT2A (0.49) KMT2ACCNCCDK8CA1CA2
SCHEMBL29484670 1.00 KMT2A (0.49) KMT2ACCNCCDK8CA1CA2
SCHEMBL6071296 0.81 CCNC (0.52) KMT2ACCNCCDK8CA1CA2
SCHEMBL6071292 0.81 CCNC (0.52) KMT2ACCNCCDK8CA1CA2
SCHEMBL22319877 0.81 CYP1A2 (0.55) CCNCCDK8CA1CA2NFKB1
SCHEMBL3164179 0.79 GRM4 (0.47) RAB9AKDM4ELMNATRPV1AURKA
SCHEMBL2903467 0.79 HDAC8 (0.67) CA1CA2NFKB1CA4ALDH1A1
SCHEMBL79668 0.79 HDAC8 (0.67) CA1CA2NFKB1CA4ALDH1A1
SCHEMBL3164183 0.79 GRM4 (0.47) RAB9AKDM4ELMNATRPV1AURKA
SCHEMBL29404405 0.79 HDAC8 (0.67) CA1CA2NFKB1CA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485725-B2 Derivatives of piperlongumine and uses thereof AURANSA INC. (US) 2022-11-01 US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 US disclosed
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 WO disclosed
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 WO disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO KMT2A 2446/4885CCNC 1005/4885CDK8 923/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 KMT2A 2507/4885CCNC 295/4885CDK8 777/4885
US-11485725-B2 Derivatives of piperlongumine and uses thereof PIR, THPO, DHPS KMT2A 2612/4885CCNC 323/4885CDK8 843/4885

“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.