SCHEMBL241944

SCHEMBL241944

CC(CN(CC(C)c1ccccc1)C(=O)c1cccc2cc(-c3ccc4c(C(N)=O)cccc4c3)ccc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
F7 P08709 3/20 0.41
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
PARP1 P09874 3/20 0.38
AOC3 Q16853 1/20 0.37
AURKA O14965 4/20 0.36
RPS6KB1 P23443 4/20 0.36
AURKB Q96GD4 2/20 0.36
TACR3 P29371 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
BRD4 O60885 1/20 0.35
IKBKB O14920 1/20 0.35
PTPN1 P18031 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL241110 0.81 NPC1 (0.53) KDM4EALDH1A1GAA
SCHEMBL355595 0.80 TRPM8 (0.46) KDM4EALDH1A1GAAPARP1AURKA
SCHEMBL353378 0.78 F10 (0.48) KDM4EALDH1A1GAAF7F2
SCHEMBL241109 0.77 KDM4E (0.41) KDM4EALDH1A1GAAPARP1AURKA
SCHEMBL634882 0.77 KDM4E (0.65) KDM4EALDH1A1GAAPARP1AURKA
SCHEMBL634716 0.76 KDM4E (0.53) KDM4EALDH1A1GAAPARP1AURKA
SCHEMBL353489 0.75 ALDH1A1 (0.53) KDM4EALDH1A1GAAPARP1AURKA
SCHEMBL355056 0.74 HSD17B1 (0.43) KDM4EALDH1A1GAAF7F2
SCHEMBL353654 0.74 HSD17B2 (0.43) KDM4EALDH1A1GAAF7F2
SCHEMBL352442 0.72 F2 (0.42) KDM4EALDH1A1GAAF7F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418942-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RES INST (US) 2017-08-23 EP disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-01-05 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 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-20120004311-A1 OPTICALLY PURE APOGOSSYPOL DERIVATIVE AS PAN-ACTIVE INHIBITOR OF ANTI-APOPTOTIC B-CELL LYMPHOMA/LEUKEMIA-2 (BCL-2) BCL3, BCL9, BCL2 KDM4E 3932/4885ALDH1A1 3592/4885GAA 1560/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 KDM4E 4564/4885ALDH1A1 3983/4885GAA 4031/4885

“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.