SCHEMBL16110565

SCHEMBL16110565

O=c1[nH]c(=O)c2ccc[c]c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.48
KDM4E B2RXH2 4/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
TYMP P19971 3/20 0.38
GSK3B P49841 1/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TNKS O95271 2/20 0.36
PARP15 Q460N3 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
CYP1A2 P05177 1/20 0.36
GPR3 P46089 1/20 0.36
PMP22 Q01453 1/20 0.36
POLB P06746 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
SCHEMBL16669006 0.75 ALDH1A1 (0.33) ALDH1A1HSD17B10GPR3
SCHEMBL12004982 0.75 ALOX5 (0.45) PARP1KDM4EGSK3BMEN1LMNA
SCHEMBL790633 0.75 KDM4E (0.42) PARP1KDM4ECA12CA9GSK3B
SCHEMBL15009544 0.69 ALDH1A1 (0.61) PARP1KDM4ECA12CA9MEN1
SCHEMBL38236 0.68 KDM4E (0.48) PARP1KDM4ECA12CA9TYMP
SCHEMBL5030 0.67 ALDH1A1 (0.54) PARP1KDM4ECA12CA9MEN1
SCHEMBL6313741 0.67 GRIN2D (0.52) PARP1KDM4ECA12CA9MEN1
Benzoylenurea SCHEMBL37945 0.66 KDM4E (1.00) PARP1KDM4ECA12CA9MEN1
Benzoylenurea SCHEMBL29407209 0.66 KDM4E (1.00) PARP1KDM4ECA12CA9MEN1
SCHEMBL5652739 0.65 AHR (0.47) KDM4EALDH1A1POLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273508-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-09-27 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-20140296266-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-02 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 (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-20140296266-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD PARP1 2578/4885KDM4E 4478/4885CA12 3256/4885
US-20180273508-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 PARP1 2482/4885KDM4E 4453/4885CA12 3388/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD PARP1 2578/4885KDM4E 4478/4885CA12 3256/4885

“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.