SCHEMBL17829223

SCHEMBL17829223

O=c1nc(-c2ccccc2)c2c(ccc3ccccc32)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 4/20 0.64
HSD17B10 Q99714 3/20 0.64
HPGD P15428 2/20 0.64
TSHR P16473 1/20 0.64
NPSR1 Q6W5P4 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CASP1 P29466 1/20 0.55
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TYMS P04818 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL4142958 0.78 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL2222578 0.78 TYMS (0.50) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL6764919 0.78 TYMS (0.50) KDM4EALDH1A1HSD17B10HPGDTSHR
Lithium SCHEMBL30669498 0.77 KDM4E (0.96) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL17367229 0.76 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL17367227 0.76 KDM4E (0.93) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL17306424 0.76 ALDH1A1 (0.59) KDM4EALDH1A1HPGDNPSR1NPC1
SCHEMBL9010781 0.75 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL18035339 0.75 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL11815497 0.75 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 KDM4E 2236/4885ALDH1A1 248/4885HSD17B10 3154/4885

“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.