SCHEMBL20659809

SCHEMBL20659809

Clc1nc(-c2ccc3cccnc3c2)nc2sc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP3A4 P08684 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL19660799 0.85 ALDH1A1 (0.38) ALDH1A1NPC1HPGDSMN1; SMN2POLB
SCHEMBL18553242 0.78 NPC1 (0.47) ALDH1A1NPC1HPGDSMN1; SMN2POLB
SCHEMBL21282036 0.78 NPC1 (0.43) ALDH1A1NPC1HPGDSMN1; SMN2POLB
SCHEMBL20670197 0.78 — —
SCHEMBL18553247 0.77 ALDH1A1 (0.38) ALDH1A1NPC1HPGDSMN1; SMN2POLB
SCHEMBL19786658 0.75 ALDH1A1 (0.38) ALDH1A1NPC1HPGDSMN1; SMN2POLB
SCHEMBL21736326 0.75 — —
SCHEMBL18553249 0.74 ALDH1A1 (0.35) ALDH1A1NPC1HPGDSMN1; SMN2POLB
SCHEMBL18666139 0.72 ADK (0.41) ALDH1A1NPC1HPGDSMN1; SMN2POLB
SCHEMBL18553254 0.72 KDM4E (0.39) ALDH1A1NPC1HPGDSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 — — US disclosed
US-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 — — US disclosed
EP-3553049-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2022-01-19 — — EP disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 — — US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 — — US disclosed
EP-3553049-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2019-10-16 — — EP disclosed
WO-2019017741-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-01-24 — — WO disclosed
WO-2019017741-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-01-24 — — 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 NR4A2 1112/4885ALDH1A1 14/4885NPC1 1021/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 NR4A2 1112/4885ALDH1A1 14/4885NPC1 1021/4885

“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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