SCHEMBL353489

SCHEMBL353489

NC(=O)c1cccc2cc(-c3ccc4c(C(=O)N(c5ccccc5)c5ccccc5)cccc4c3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
PARP1 P09874 6/20 0.44
PTPN1 P18031 2/20 0.41
IKBKB O14920 2/20 0.41
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
BCAT2 O15382 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ERN1 O75460 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL353582 0.89 KDM4E (0.48) ALDH1A1KDM4EGAAPARP1SIRT2
SCHEMBL634882 0.85 KDM4E (0.65) ALDH1A1KDM4EGAAPARP1PTPN1
SCHEMBL352878 0.84 PARP1 (0.51) ALDH1A1KDM4EGAAPARP1HSD17B1
SCHEMBL17292708 0.84 ATM (0.47) ALDH1A1KDM4EGAAPARP1IKBKB
SCHEMBL634716 0.81 KDM4E (0.53) ALDH1A1KDM4EGAAPARP1PTPN1
SCHEMBL9548533 0.80 NR4A1 (0.60) ALDH1A1PTPN1NR4A1NR4A2NR4A3
SCHEMBL353378 0.78 F10 (0.48) ALDH1A1KDM4EGAAPARP1
SCHEMBL241944 0.75 KDM4E (0.44) ALDH1A1KDM4EGAAPARP1PTPN1
SCHEMBL355595 0.75 TRPM8 (0.46) ALDH1A1KDM4EGAAPARP1PTPN1
SCHEMBL5014949 0.74 KDM4E (0.55) ALDH1A1KDM4EGAAPARP1BCAT2

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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 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 (1 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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 ALDH1A1 3983/4885KDM4E 4564/4885GAA 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.