SCHEMBL19959872

SCHEMBL19959872

S=P(c1ccccc1)(c1cnc2ccccc2c1)c1cccc2c1nc1c3ccccc3c3ccccc3n21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.33
TOP1 P11387 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.32
KDR P35968 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
TOP2A P11388 2/20 0.30
TOP2B Q02880 2/20 0.30

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
SCHEMBL19959909 0.94 USP2 (0.31) ALDH1A1LMNA
SCHEMBL22166882 0.92
SCHEMBL19959826 0.89 SLC40A1 (0.32) ALDH1A1
SCHEMBL19965961 0.88 KDM4E (0.34) NPSR1KDM4EALDH1A1LMNANPC1
SCHEMBL19959862 0.88 TOP1 (0.35) NPSR1TOP1KDM4EALDH1A1LMNA
SCHEMBL19959781 0.87 NPSR1 (0.36) NPSR1TOP1
SCHEMBL19965955 0.86
SCHEMBL19959825 0.85 NPSR1 (0.32) NPSR1TOP1POLB
SCHEMBL19959891 0.83 KDM4E (0.36) NPSR1KDM4EALDH1A1LMNANPC1
SCHEMBL19959874 0.83 KDM4E (0.37) NPSR1KDM4EALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-06-30 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 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 (2 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-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 NPSR1 3840/4885TOP1 2543/4885KDM4E 1997/4885
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 NPSR1 3840/4885TOP1 2543/4885KDM4E 1997/4885

“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.