SCHEMBL22177368

SCHEMBL22177368

c1ccc(-c2cc(-c3cccc4sc5c(-c6nc7ccccc7s6)cccc5c34)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.43
▸ KDM4E B2RXH2 9/20 0.43
▸ NPC1 O15118 8/20 0.43
▸ MAPT P10636 7/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ POLB P06746 4/20 0.43
▸ NFKB1 P19838 3/20 0.43
▸ NFKB2 Q00653 3/20 0.43
▸ RELA Q04206 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39

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
SCHEMBL22177369 0.98 MAPT (0.41) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL22178179 0.94 RAB9A (0.41) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL22178180 0.93 RAB9A (0.40) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL22177372 0.93 RAB9A (0.45) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL22177373 0.91 RAB9A (0.43) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL22178072 0.89 RAB9A (0.46) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL22177374 0.89 RAB9A (0.41) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL22178513 0.88 RAB9A (0.47) RAB9AKDM4ENPC1MAPTSMN1; SMN2
SCHEMBL22329275 0.88 MEN1 (0.42) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22113844 0.87 ACACA (0.45) KDM4EMAPTSMN1; SMN2MEN1KMT2A

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 2374/4885NPC1 2337/4885
US-11518769-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 RAB9A 2545/4885KDM4E 3498/4885NPC1 2044/4885

“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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