SCHEMBL24057409

SCHEMBL24057409

Clc1ccnc2sc3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ GPR3 P46089 1/20 0.40
▸ ADK P55263 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ELANE P08246 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ MIF P14174 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ LIMK1 P53667 1/20 0.33

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
SCHEMBL25548767 0.80 MAPT (0.35) AURKAAURKBMAPTLMNAALDH1A1
SCHEMBL19267562 0.79 LIMK1 (0.43) GPR3RAB9AMAPTKDM4ELMNA
SCHEMBL17265873 0.79 GPR3 (0.40) GPR3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL16693475 0.77 LOXL2 (0.43) GPR3ADKLOXL2NPC1RAB9A
SCHEMBL7216257 0.75 PDE4A (0.44) GPR3ADKLOXL2MAPTSMN1; SMN2
SCHEMBL18177882 0.75 GPR3 (0.41) GPR3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL24055865 0.74 CYP1A2 (0.40) MAPTKDM4EHPGDMCL1LIMK1
SCHEMBL25711010 0.73 ROCK1 (0.38) GPR3ADKLOXL2NPC1RAB9A
SCHEMBL25751934 0.73 GPR3 (0.35) GPR3ADKNPC1RAB9AMAPT
SCHEMBL24057785 0.73 GPR3 (0.46) GPR3LOXL2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157159-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-05-18 — — US disclosed
US-20230157159-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2023-05-18 — — US disclosed
WO-2021235906-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-25 — — 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 (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-20230157159-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME NR0B1, AHR, ARL1 AURKA 3034/4885AURKB 2800/4885GPR3 1000/4885

“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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