SCHEMBL22178198

SCHEMBL22178198

c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4sc5c(-c6cccc(-c7nc8ccccc8s7)c6)cccc5c34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.41
▸ MAPT P10636 7/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ NFKB1 P19838 4/20 0.41
▸ NFKB2 Q00653 4/20 0.41
▸ RELA Q04206 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ APP P05067 6/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 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
SCHEMBL22736381 0.97 RAB9A (0.41) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22178280 0.97 ALOX5 (0.42) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22736613 0.96 RAB9A (0.40) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22178183 0.95 APP (0.42) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22177834 0.94 APP (0.42) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22177637 0.94 RAB9A (0.44) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22178088 0.93 RAB9A (0.39) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22736379 0.93 ALOX5 (0.45) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22177856 0.93 RAB9A (0.45) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22178204 0.93 RAB9A (0.45) RAB9AMAPTKDM4ESMN1; SMN2NPC1

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 2411/4885MAPT 1997/4885KDM4E 2374/4885
US-11518769-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 RAB9A 2545/4885MAPT 1660/4885KDM4E 3498/4885

“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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