Sugi Predict

Sugi Predict / Compounds / SCHEMBL24575488

SCHEMBL24575488

SCHEMBL24575488

Brc1ccc2c3c(cccc13)-c1ccccc1S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.44
▸ CYP1B1 Q16678 10/20 0.41
▸ HKDC1 Q2TB90 1/20 0.39
▸ TYMS P04818 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 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
SCHEMBL21382898 0.96 CYP1A2 (0.47) CYP1A2CYP1B1HKDC1ALDH1A1POLB
SCHEMBL31301078 0.96 CYP1A2 (0.47) CYP1A2CYP1B1HKDC1ALDH1A1POLB
SCHEMBL16558474 0.83 CRHBP (0.39) CYP1A2TYMSALDH1A1POLBKDM4E
SCHEMBL24575614 0.82 LMNA (0.39) CYP1A2CYP1B1HKDC1LMNAMEN1
SCHEMBL16558472 0.81 CRHBP (0.41) CYP1A2TYMSALDH1A1POLBKDM4E
SCHEMBL21384237 0.80 HPGD (0.34) CYP1A2LMNAMAPTHPGDCYP2D6
SCHEMBL29038361 0.80 TYMS (0.53) CYP1A2CYP1B1TYMSALDH1A1POLB
SCHEMBL30462690 0.80 TYMS (0.53) CYP1A2CYP1B1TYMSALDH1A1POLB
SCHEMBL16558545 0.79 SLC6A3 (0.34) CYP1A2HKDC1TYMSALDH1A1KDM4E
SCHEMBL16558558 0.79 CRHBP (0.36) CYP1A2TYMSALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399336-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2023-12-14 — — US disclosed
US-20230399336-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2023-12-14 — — US disclosed
EP-4265618-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT Materials Co., Ltd. (KR) 2023-10-25 — — EP disclosed
WO-2022139167-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER 엘티소재주식회사 2022-06-30 — — 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-20230399336-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER CYP1B1, NOTUM, WEE1 CYP1A2 67/4885CYP1B1 1/4885HKDC1 1204/4885

“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.