SCHEMBL17598680

SCHEMBL17598680

c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5ccncc5)cc4)ccc4ccccc34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 7/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HSD17B10 Q99714 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NOTUM Q6P988 1/20 0.44
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TNF P01375 1/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL17829298 0.94 MAPT (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17829319 0.94 MAPT (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21131501 0.93 MAPT (0.48) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21131704 0.93 MAPT (0.48) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23633430 0.92 MAPT (0.44) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23633695 0.89 MAPT (0.46) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17829420 0.88 MAPT (0.44) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18965346 0.88 MAPT (0.45) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17598596 0.87 CYP11B1 (0.48) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21131855 0.87 MAPT (0.43) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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 MAPT 166/4885KDM4E 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.