SCHEMBL17598677

SCHEMBL17598677

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5ccc(-c6ccccn6)cc5)ccc34)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 4/20 0.45
TP53 P04637 4/20 0.45
NPC1 O15118 4/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 4/20 0.45
RAB9A P51151 4/20 0.45
TSHR P16473 3/20 0.45
PKM P14618 3/20 0.45
KLF5 Q13887 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
GRM5 P41594 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DHODH Q02127 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
SCHEMBL17829282 0.95 ALDH1A1 (0.42) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL17829267 0.95 ALDH1A1 (0.42) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL21098931 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL17598658 0.91 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL17598592 0.90 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL21981986 0.90 KDM4E (0.51) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL20195362 0.88 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL17598591 0.88 HSD17B10 (0.47) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL2256495 0.88 KDM4E (0.57) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL23633541 0.87 HSD17B1 (0.47) SMN1; SMN2KDM4EALDH1A1MAPTHPGD

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
EP-2995616-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
EP-2995616-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-03-16 EP 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 SMN1; SMN2 749/4885KDM4E 1590/4885ALDH1A1 886/4885

“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.