SCHEMBL22177681

SCHEMBL22177681

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6cccc(-c7nc8ccccc8s7)c6)c5c34)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.52
▸ KDM4E B2RXH2 8/20 0.52
▸ MAPT P10636 7/20 0.52
▸ NPC1 O15118 7/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ NFKB1 P19838 4/20 0.52
▸ NFKB2 Q00653 4/20 0.52
▸ RELA Q04206 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ APP P05067 5/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ PAX8 Q06710 1/20 0.46

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
SCHEMBL22177680 0.99 RAB9A (0.51) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL22177682 0.96 RAB9A (0.49) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL22177638 0.94 RAB9A (0.47) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL22177674 0.92 APP (0.55) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL22177673 0.92 APP (0.49) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL22177637 0.91 RAB9A (0.44) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL22177634 0.91 APP (0.46) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL22177675 0.91 APP (0.54) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL22178104 0.90 APP (0.55) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL22178377 0.90 RAB9A (0.50) RAB9AKDM4EMAPTNPC1SMN1; 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-11518769-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2022-12-06 — — US disclosed
US-20200207754-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-07-02 — — 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-20200207754-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CRY1, CRY2, CYP1A1 RAB9A 2411/4885KDM4E 2374/4885MAPT 1997/4885
US-11518769-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 RAB9A 2545/4885KDM4E 3498/4885MAPT 1660/4885

“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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