SCHEMBL17829282

SCHEMBL17829282

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cc(-c6ccc(-c7ccccn7)cc6)ccc45)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HSD17B10 Q99714 4/20 0.42
TP53 P04637 3/20 0.42
NPC1 O15118 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 2/20 0.42
KLF5 Q13887 2/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
DHODH Q02127 1/20 0.40
GRM5 P41594 2/20 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
SCHEMBL17829267 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17598658 0.96 SMN1; SMN2 (0.43) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17598677 0.95 SMN1; SMN2 (0.45) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL20195362 0.94 SMN1; SMN2 (0.41) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL21098931 0.94 SMN1; SMN2 (0.41) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL16716603 0.92 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17829288 0.90 TNF (0.42) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17829261 0.90 TNF (0.42) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17829300 0.88 HSD17B10 (0.44) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17829313 0.88 HSD17B10 (0.44) ALDH1A1MAPTKDM4EHPGDSMN1; 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 ALDH1A1 886/4885MAPT 166/4885KDM4E 1590/4885

“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.