SCHEMBL17044834

SCHEMBL17044834

[c]1ccc(-c2ccc(-c3cccs3)c3nsnc23)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ERN1 O75460 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2E1 P05181 1/20 0.31

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
SCHEMBL3471222 0.87 — —
SCHEMBL41299 0.85 KDM4E (0.43) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12587621 0.78 DPP4 (0.40) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12587611 0.76 POLB (0.40) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4411262 0.76 KDM4E (0.39) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL20610387 0.76 DPP4 (0.45) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13892125 0.76 MGAM (0.42) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL289395 0.75 L3MBTL1 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14685994 0.73 DPP4 (0.46) TDO2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15931487 0.73 CYP2E1 (0.39) TDO2MEN1KMT2AALDH1A1KDM4E

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
US-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 — — US disclosed
US-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD (JP) 2018-03-29 — — US disclosed
US-9847490-B2 Copolymer, material for organic electronic element, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2017-12-19 — — US disclosed
US-20150280131-A1 COPOLYMER, MATERIAL FOR ORGANIC ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-10-01 — — US disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 — — 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-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A1, SLC1A2, SLC43A1 TDO2 67/4885MEN1 4059/4885KMT2A 1493/4885

“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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