SCHEMBL17586368

SCHEMBL17586368

c1cc(-c2nc3ccccc3nc2-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c2)cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RAD51 Q06609 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 2/20 0.30
LMNA P02545 2/20 0.30
RAB9A P51151 2/20 0.30
HSD17B10 Q99714 2/20 0.30
POLB P06746 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PDE10A Q9Y233 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL17586377 0.90 ALOX5 (0.32) ALOX5MAPTRXFP1KDM4EATM
SCHEMBL18868219 0.90 KDM4E (0.33) MEN1KMT2AGAAKDM4EATM
SCHEMBL20813094 0.89 ALDH1A1 (0.36) MEN1KMT2AGAAALOX5MAPT
SCHEMBL19653920 0.89 MEN1 (0.32) MEN1KMT2AGAAALOX5KDM4E
SCHEMBL16171205 0.89 ALOX5 (0.37) KMT2AALOX5MAPTRXFP1KDM4E
SCHEMBL18564489 0.88 ALOX5 (0.34) ALOX5MAPTRXFP1KDM4EATM
SCHEMBL24676263 0.87 KDM4E (0.39) ALOX5MAPTRXFP1KDM4EATM
SCHEMBL17586366 0.87 ALOX5 (0.33) MEN1KMT2AALOX5MAPTRXFP1
SCHEMBL10014501 0.86 ATM (0.38) MEN1KMT2AALOX5MAPTRXFP1
SCHEMBL10014515 0.86 ATM (0.34) MEN1KMT2AGAAALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075718-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-03-17 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-20160075718-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CYP1A1, ARNT, PTGER1 MEN1 1712/4885KMT2A 2461/4885GAA 2710/4885

“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.