SCHEMBL18553242

SCHEMBL18553242

Clc1nc(-c2ccccc2)nc2sc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ HPGD P15428 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ADORA2A P29274 4/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ SENP8 Q96LD8 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP6 Q9GZR1 2/20 0.40
▸ EGLN1 Q9GZT9 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
SCHEMBL21282036 0.90 NPC1 (0.43) NPC1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL19660799 0.84 ALDH1A1 (0.38) NPC1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL18370707 0.83 HPGD (0.43) NPC1HPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL18666497 0.82 NPC1 (0.43) NPC1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL18553238 0.81 ADORA3 (0.47) HPGDALDH1A1POLBL3MBTL1MEN1
SCHEMBL18553253 0.81 ADORA3 (0.47) HPGDALDH1A1POLBL3MBTL1MEN1
SCHEMBL18017822 0.81 MEN1 (0.45) NPC1HPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL18017830 0.81 MEN1 (0.45) NPC1HPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL18017816 0.81 MEN1 (0.45) NPC1HPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL16902214 0.81 KMT2A (0.46) NPC1HPGDSMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 — — WO disclosed
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
WO-2021230651-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-11-18 — — WO 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
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
WO-2017030307-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS COMPRISING SAME 덕산네오룩스 주식회사 2017-02-23 — — 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 (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-11299459-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof PIEZO1, OCIAD1, TMEM109 NPC1 2935/4885HPGD 3589/4885SMN1; SMN2 1388/4885
US-10934308-B2 Compound for organic electronic element, organic electronic element using same, and electronic device comprising same OR51E2, NFE2L2, ETV6 NPC1 3698/4885HPGD 3573/4885SMN1; SMN2 844/4885

“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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