SCHEMBL12413399

SCHEMBL12413399

Cc1ccc(-c2c(I)c3sc4cc5c(cc4c3n2C)sc2c(I)c(-c3ccc(C)cc3I)n(C)c25)c(I)c1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
IDO1 P14902 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
MCL1 Q07820 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12413189 0.72 PKM (0.35) KDM4EAPAF1MAPTPKMIDO1
SCHEMBL12413394 0.71
SCHEMBL12412980 0.71 MCL1 (0.38) KDM4EAPAF1MAPTPKMIDO1
SCHEMBL12413187 0.67 MCL1 (0.37) KDM4EAPAF1MAPTPKMIDO1
SCHEMBL12413395 0.67
SCHEMBL17281047 0.66 MCL1 (0.36) KDM4EAPAF1MAPTPKMIDO1
SCHEMBL12412960 0.65 MCL1 (0.38) KDM4EAPAF1MAPTPKMIDO1
SCHEMBL16154469 0.64 CYP2A6 (0.43) MAPTTDP1
SCHEMBL12412981 0.63 HPGD (0.35) MAPTRAB9A
SCHEMBL12412978 0.63 PKM (0.33) KDM4EAPAF1MAPTPKMIDO1

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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SCLY, MSRB3, SOD1 KDM4E 1286/4885APAF1 4687/4885MAPT 4576/4885

“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.