SCHEMBL4828993

SCHEMBL4828993

c1ccc(-c2ccc3sc4ccccc4c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.45
▸ RAB9A P51151 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LIMK1 P53667 3/20 0.40
▸ PARP1 P09874 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ ASIC3 Q9UHC3 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ KRAS P01116 1/20 0.35

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
SCHEMBL18232837 0.81 KDM4E (0.41) GPR3RAB9AKMT2ALIMK1NPC1
SCHEMBL15582025 0.80 LIMK1 (0.43) GPR3RAB9AMEN1KMT2ALIMK1
SCHEMBL15581954 0.80 LIMK1 (0.43) GPR3RAB9AMEN1KMT2ALIMK1
SCHEMBL15582067 0.80 LIMK1 (0.43) GPR3RAB9AMEN1KMT2ALIMK1
SCHEMBL25462902 0.80 MEN1 (0.52) MEN1KMT2AALDH1A1
SCHEMBL15582121 0.78 PARP1 (0.41) RAB9AMEN1KMT2ALIMK1PARP1
SCHEMBL28900130 0.78 MIF (0.51) GPR3RAB9AMEN1KMT2ALIMK1
SCHEMBL24057813 0.78 CYP1A2 (0.35) RAB9ALIMK1NPC1ALDH1A1
SCHEMBL25463040 0.78 LMNA (0.38) RAB9AMEN1KMT2ANPC1ACHE
SCHEMBL18232854 0.78 KDM4E (0.38) GPR3RAB9AMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255815-A Organic metal compound, preparation method thereof and light-emitting device 吉林奥来德光电材料股份有限公司 2024-06-28 — — CN disclosed
US-20160336517-A1 Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-17 — — US disclosed
US-20160336517-A1 Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-17 — — US disclosed
US-7445857-B2 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-11-04 — — US disclosed
US-20070237981-A1 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-10-11 — — 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-20160336517-A1 Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device NR2E3, LEF1, LAGE3 GPR3 2633/4885RAB9A 3719/4885MEN1 3483/4885

“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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