SCHEMBL18289461

SCHEMBL18289461

C=Cn1c(=O)c2cc3c(=O)n(C=C)c(=O)c3cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL423439 0.65 CYP3A4 (0.38)
SCHEMBL12541553 0.61 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBGAANPSR1
SCHEMBL43657 0.61 KDM4E (0.41) ALDH1A1KDM4EPOLBGAA
SCHEMBL12310076 0.61 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBGAA
SCHEMBL11529888 0.59 NPC1 (0.38) ALDH1A1KDM4EPOLB
SCHEMBL17789200 0.59 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBGAANPSR1
SCHEMBL6675514 0.57 CA12 (0.65) ALDH1A1KDM4EPOLBGAANPSR1
SCHEMBL9550360 0.56 ALDH1A1 (0.32) ALDH1A1KDM4EPOLBGAA
SCHEMBL22899093 0.56 ADORA2B (0.31)
SCHEMBL13259498 0.56 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBGAANPSR1

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-20160355616-A1 Polyvinyl Pyrrolidone analog Polymers LOGIN ROBERT BERNARD (US) 2016-12-08 US disclosed
US-20160355616-A1 Polyvinyl Pyrrolidone analog Polymers LOGIN ROBERT BERNARD (US) 2016-12-08 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-20160355616-A1 Polyvinyl Pyrrolidone analog Polymers PBRM1, HMBS, BPGM ALDH1A1 1117/4885KDM4E 2360/4885POLB 817/4885

“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.