SCHEMBL22894012

SCHEMBL22894012

c1ccc(-c2cc3c(c4ccccc24)c2c4ccccc4c(-c4ccccc4)cc2n3-c2nc(-c3cc4sc5ccccc5c4c4ccccc34)c3ccccc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.33
ACACA Q13085 3/20 0.32
ADORA2A P29274 2/20 0.31
CHEK1 O14757 1/20 0.31
WEE1 P30291 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL22894010 0.87 HPGD (0.33) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL22708591 0.86 ALDH1A1 (0.41) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL22894049 0.85 ALDH1A1 (0.35) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL22708592 0.84 ALDH1A1 (0.39) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL22893823 0.84 CHEK1 (0.32) CHEK1WEE1
SCHEMBL19450596 0.83 ALDH1A1 (0.54) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL17368308 0.82 ALDH1A1 (0.34) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL22893825 0.82 KDM4E (0.33) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL22894009 0.82 KDM4E (0.33) HPGDALDH1A1KDM4ENPSR1MAPT
SCHEMBL22894011 0.81 KDM4E (0.35) HPGDALDH1A1KDM4ENPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 HPGD 848/4885ALDH1A1 9/4885KDM4E 2673/4885

“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.