SCHEMBL7109724

SCHEMBL7109724

CC(=NO)c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CYP2C19 P33261 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ C1S P09871 1/20 0.48
▸ PARP1 P09874 1/20 0.48
▸ MTOR P42345 3/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8321303 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL17134067 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL28530493 0.89 CTSL (0.50) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL28127816 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL3725357 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
Bromobenzene SCHEMBL28232899 0.81 CYP2C19 (0.50) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL6815084 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL6815081 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL17008402 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2
SCHEMBL749086 0.78 C1S (0.56) NPC1RAB9ASMN1; SMN2CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574135-B 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2022-09-23 — — CN claimed
CN-112574135-A 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2021-03-30 — — CN claimed
CN-108355709-B Application of bismuth trifluoromethanesulfonate as Beckmann rearrangement reaction catalyst 嘉兴学院 2020-12-08 — — CN claimed
CN-110294758-A 2- replaces 5,6- dihydro-pyrazolo [5,1- α] isoquinolin, derivative and its synthetic method 湘潭大学 2019-10-01 — — CN claimed
CN-108355709-A Purposes of the Bismuth triflate as Beckmann rearrangement catalyst 嘉兴学院 2018-08-03 — — CN claimed
CN-112574135-B 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof 湖南工程学院 2022-09-23 — — CN disclosed
CN-108355709-B Application of bismuth trifluoromethanesulfonate as Beckmann rearrangement reaction catalyst 嘉兴学院 2020-12-08 — — CN disclosed
CN-110294758-A 2- replaces 5,6- dihydro-pyrazolo [5,1- α] isoquinolin, derivative and its synthetic method 湘潭大学 2019-10-01 — — CN disclosed
CN-108355709-A Purposes of the Bismuth triflate as Beckmann rearrangement catalyst 嘉兴学院 2018-08-03 — — CN disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 — — EP disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed
CN-1230431-C Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2005-12-07 — — CN disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 — — US disclosed
CN-1439003-A Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2003-08-27 — — CN disclosed
US-6075148-A CARBAMATE DERIVATIVES ARE USEFUL FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 2000-06-13 — — US disclosed
US-5981532-A FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 — — US disclosed
US-5824705-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-20 — — US disclosed
EP-0624155-A1 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1994-11-17 — — EP disclosed
WO-1993015046-A1 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-08-05 — — 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-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 NPC1 806/4885RAB9A 1607/4885SMN1; SMN2 3953/4885

“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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