SCHEMBL22606579

SCHEMBL22606579

c1ccc(-c2cccc3c2nc(-c2ccc(-c4ccc(-c5cn6ccccc6n5)cc4)cc2)c2ccc4ccccc4c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.44
▸ NPC1 O15118 9/20 0.44
▸ KDM4E B2RXH2 7/20 0.44
▸ POLB P06746 2/20 0.44
▸ GFER P55789 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ PKM P14618 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ ALDH1A3 P47895 5/20 0.41
▸ ALDH1A2 O94788 3/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MIF P14174 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
SCHEMBL22606761 0.90 SCD (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22606860 0.90 RAB9A (0.39) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL22606861 0.87 RAB9A (0.37) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL22607078 0.87 RAB9A (0.50) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL18200435 0.85 RAB9A (0.50) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL22606760 0.83 ALDH1A3 (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18200439 0.82 BACE1 (0.49) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL18201097 0.82 BACE1 (0.47) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL21934585 0.82 RAB9A (0.49) RAB9ANPC1KDM4EPOLBGFER
SCHEMBL22606750 0.80 DHODH (0.40) RAB9AKDM4EALDH1A1SMN1; SMN2MAPK1

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-20200339513-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2020-10-29 — — 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-20200339513-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 RAB9A 2438/4885NPC1 2476/4885KDM4E 2341/4885

“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.

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