SCHEMBL17829313

SCHEMBL17829313

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6ccccn6)cc5)cc5ccccc45)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
DHODH Q02127 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
TP53 P04637 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 3/20 0.43
PKM P14618 3/20 0.43
KLF5 Q13887 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MPI P34949 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 4/20 0.40
METAP1 P53582 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
SCHEMBL17829300 1.00 HSD17B10 (0.44) HSD17B10TSHRMAPK1DHODHSMN1; SMN2
SCHEMBL17598613 0.96 HSD17B10 (0.45) HSD17B10TSHRMAPK1DHODHSMN1; SMN2
SCHEMBL23953185 0.95 KDM4E (0.42) HSD17B10TSHRMAPK1DHODHSMN1; SMN2
SCHEMBL17598591 0.95 HSD17B10 (0.47) HSD17B10TSHRMAPK1DHODHSMN1; SMN2
SCHEMBL17413704 0.94 KDM4E (0.44) HSD17B10TSHRMAPK1DHODHSMN1; SMN2
SCHEMBL21099061 0.93 KDM4E (0.42) HSD17B10TSHRMAPK1DHODHSMN1; SMN2
SCHEMBL21099078 0.92 HSD17B10 (0.45) HSD17B10TSHRMAPK1DHODHSMN1; SMN2
SCHEMBL18858330 0.92 HSD17B10 (0.47) HSD17B10TSHRMAPK1DHODHSMN1; SMN2
SCHEMBL17829282 0.88 ALDH1A1 (0.42) HSD17B10TSHRMAPK1DHODHSMN1; SMN2
SCHEMBL17829267 0.88 ALDH1A1 (0.42) HSD17B10TSHRMAPK1DHODHSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HSD17B10 1853/4885TSHR 3997/4885MAPK1 3143/4885

“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.