Sugi Predict

Sugi Predict / Compounds / SCHEMBL625041

SCHEMBL625041

SCHEMBL625041

[CH]c1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ PKM P14618 2/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ MASP2 O00187 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NUDT1 P36639 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ AOC3 Q16853 1/20 0.56
▸ GAA P10253 2/20 0.52
▸ POLB P06746 2/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ DDAH1 O94760 1/20 0.50
▸ BCHE P06276 1/20 0.48

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
SCHEMBL27302904 0.76 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL172216 0.75 NPC1 (1.00) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL30634854 0.75 NPC1 (1.00) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL30561047 0.75 NPC1 (1.00) ALDH1A1NPC1RAB9ANPSR1KDM4E
Water SCHEMBL9817804 0.73 NPC1 (0.95) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL29034384 0.73 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ANPSR1KDM4E
2-Mercaptobenzimidazole SCHEMBL36857 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL2312311 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL8084919 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E
SCHEMBL5924625 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ANPSR1KDM4E

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271367-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2024-07-02 — — CN claimed
CN-118265318-A Organic electroluminescent device 北京夏禾科技有限公司 2024-06-28 — — CN claimed
CN-117820378-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2024-04-05 — — CN claimed
CN-116925148-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2023-10-24 — — CN claimed
CN-116903668-A Organic electroluminescent material and device 环球展览公司 2023-10-20 — — CN claimed
US-20230337521-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 — — US claimed
CN-111801297-B Method for producing ammonia, molybdenum complex compound, and benzimidazole compound 国立大学法人东京大学 2023-09-01 — — CN claimed
CN-111205198-B Method for preparing formamide compound by catalyzing carbon dioxide hydrogenation through porous material 复旦大学 2023-08-01 — — CN claimed
US-20230063868-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-03-02 — — US claimed
CN-115700255-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2023-02-07 — — CN claimed
CN-115472756-A Organic electroluminescent device 北京夏禾科技有限公司 2022-12-13 — — CN claimed
CN-111057199-B Aza-carbene-based nanogold surface polymer modification method 青岛石控科技有限公司 2022-11-11 — — CN claimed
US-20210384449-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2021-12-09 — — US claimed
WO-2021147622-A1 METHOD FOR PREPARING FORMAMIDE COMPOUND BY CATALYZING CARBON DIOXIDE HYDROGENATION WITH POROUS MATERIAL 复旦大学 2021-07-29 — — WO claimed
CN-110483791-B Monodisperse porous organic metal polymer material and preparation method and application thereof 复旦大学 2021-07-23 — — CN claimed
CN-109126875-B Carbon 60-bidentate nitrogen heterocyclic carbene palladium (0) compound and preparation method and application thereof 洛阳师范学院 2021-03-16 — — CN claimed
CN-111801297-A Process for producing ammonia, molybdenum complex compound, and benzimidazole compound 国立大学法人东京大学 2020-10-20 — — CN claimed
CN-111205198-A Method for preparing formamide compound by catalyzing carbon dioxide hydrogenation with porous material 复旦大学 2020-05-29 — — CN claimed
US-10644251-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-05-05 — — US claimed
CN-111057199-A Aza-carbene-based nanogold surface polymer modification method 盐城工学院 2020-04-24 — — CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20210384449-A1 Organic Electroluminescent Materials and Devices TSHR, GLRA3, GLRB ALDH1A1 2820/4885NPC1 3142/4885RAB9A 1438/4885
US-20230337521-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, NR1H2 ALDH1A1 600/4885NPC1 2199/4885RAB9A 701/4885
US-20230063868-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE LEF1, PIEZO1, TMEM109 ALDH1A1 677/4885NPC1 1353/4885RAB9A 2406/4885
US-10644251-B2 Organic electroluminescent materials and devices RUVBL1, RUVBL2, LIFR ALDH1A1 1671/4885NPC1 3254/4885RAB9A 74/4885

“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.