SCHEMBL18666065

SCHEMBL18666065

Clc1nc(-c2cccnc2)c2c3ccccc3c3ccccc3c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ CYP2A6 P11509 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ NPY5R Q15761 1/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ NQO2 P16083 1/20 0.38

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
SCHEMBL18132505 0.84 KDM4E (0.53) IDO1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL18132486 0.81 KDM4E (0.50) ALDH1A1CYP3A4CYP1A2HPGDKDM4E
SCHEMBL18553594 0.78 KDM4E (0.50) CYP11B1IDO1LRRK2CYP2A6ALDH1A1
SCHEMBL17297512 0.78 NPC1 (0.43) CYP11B1IDO1LRRK2CYP2A6ALDH1A1
SCHEMBL18132502 0.78 ALDH1A1 (0.42) ALDH1A1CYP1A2HPGDKDM4EKMT2A
SCHEMBL15860249 0.77 ALDH1A1 (0.58) CYP11B1IDO1LRRK2CYP2A6ALDH1A1
SCHEMBL17297432 0.75 NPC1 (0.43) CYP11B1IDO1LRRK2CYP2A6ALDH1A1
SCHEMBL17297524 0.75 ALDH1A1 (0.43) CYP11B1IDO1LRRK2CYP2A6ALDH1A1
SCHEMBL17297577 0.75 ALDH1A1 (0.49) CYP11B1IDO1LRRK2ALDH1A1CYP1A2
SCHEMBL19009699 0.75 CYP11B1 (0.46) CYP11B1IDO1LRRK2CYP2A6ALDH1A1

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-11299459-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-04-12 — — US disclosed
US-10934308-B2 Compound for organic electronic element, organic electronic element using same, and electronic device comprising same DUK SAN NEOLUX CO., LTD. (KR) 2021-03-02 — — US disclosed
US-10840457-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-11-17 — — US disclosed
WO-2017052099-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-03-30 — — WO disclosed
WO-2017048025-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2017-03-23 — — WO 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 (3 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-11299459-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof PIEZO1, OCIAD1, TMEM109 CYP11B1 927/4885IDO1 2286/4885LRRK2 3038/4885
US-10840457-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof PIEZO1, OR10J3, OCIAD1 CYP11B1 874/4885IDO1 2327/4885LRRK2 2946/4885
US-10934308-B2 Compound for organic electronic element, organic electronic element using same, and electronic device comprising same OR51E2, NFE2L2, ETV6 CYP11B1 2920/4885IDO1 3048/4885LRRK2 2867/4885

“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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