SCHEMBL23972163

SCHEMBL23972163

c1ccc(-c2ccc3c(n2)sc2cc4ccccc4cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ LIMK1 P53667 2/20 0.47
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TLR9 Q9NR96 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 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
SCHEMBL25546815 0.77 LIMK1 (0.33) LIMK1CYP1A2CYP2C19TP53HIF1A
SCHEMBL25548684 0.77 MAPT (0.34) RAB9AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL18853448 0.75 NPC1 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL23651703 0.75 RAB9A (0.45) NPC1RAB9ALIMK1MAPTMEN1
SCHEMBL24055544 0.74 CYP1A1 (0.37) NPC1RAB9ALIMK1MAPTMEN1
SCHEMBL11990859 0.72 GPR3 (0.46) RAB9AMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL30888167 0.72 GPR3 (0.46) RAB9AMAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL17247114 0.72 RAB9A (0.41) RAB9ALIMK1MAPTMEN1KMT2A
SCHEMBL24055864 0.72 NPC1 (0.42) NPC1RAB9ALIMK1MAPTMEN1
SCHEMBL26423558 0.71 CYP2A6 (0.41) NPC1RAB9ALIMK1MAPTMEN1

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-20210343950-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2021-11-04 — — 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-20210343950-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES AOX1, OCIAD1, OCIAD2 NPC1 429/4885RAB9A 2199/4885LIMK1 3475/4885

“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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