SCHEMBL538855

SCHEMBL538855

NOCCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.74
AGXT P21549 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
CYP2A6 P11509 1/20 0.52
HTR2A P28223 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAOA P21397 4/20 0.48
MAOB P27338 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL3075866 0.97 IDO1 (0.71) IDO1AGXTCA1CA2CA9
SCHEMBL1520805 0.85 IDO1 (1.00) IDO1AGXTSMN1; SMN2CYP2A6HTR2A
SCHEMBL2146745 0.83 IDO1 (0.87) IDO1AGXTHTR2AMAOAMAOB
Hydrochloric Acid SCHEMBL1715614 0.83 IDO1 (0.95) IDO1AGXTSMN1; SMN2CYP2A6HTR2A
Hydrochloric Acid SCHEMBL8978658 0.81 IDO1 (0.83) IDO1AGXTHTR2AMAOAMAOB
SCHEMBL8193806 0.81 IDO1 (0.83) IDO1HTR2AMAOAMAOBLMNA
SCHEMBL8815963 0.81 IDO1 (0.83) IDO1HTR2AMAOAMAOBLMNA
Hydroxyamine SCHEMBL8543884 0.78 IDO1 (0.77) IDO1AGXTHTR2AMAOAMAOB
SCHEMBL198134 0.78 TSHR (0.52) IDO1CA1CA2CA9SMN1; SMN2
SCHEMBL6341147 0.78 ALDH1A1 (0.52) IDO1CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118850-A Method for preparing amino phenethyl alcohol compound by reforming indole compound structure 中国科学院兰州化学物理研究所 2024-12-13 CN claimed
CN-116676354-A Method for synthesizing indigo and derivative thereof through double-enzyme cascade catalysis 南京工业大学 2023-09-01 CN claimed
EP-4126895-A1 METHOD FOR PREPARING 3'-O-AMINO-2'-DEOXYRIBONUCLEOSIDE-5'-TRIPHOSPHATES DNA Script (FR) 2023-02-08 EP claimed
CN-115362161-A Process for preparing 3' -O-amino-2 ' -deoxyribonucleoside-5 ' -triphosphates DNA斯克瑞普特公司 2022-11-18 CN claimed
CN-109912434-B Synthesis method of phenylethanolamine beta receptor agonist 上海安谱实验科技股份有限公司 2022-07-12 CN claimed
WO-2021198040-A1 METHOD FOR PREPARING 3'-O-AMINO-2'-DEOXYRIBONUCLEOSIDE-5'-TRIPHOSPHATES. DNA SCRIPT (FR) 2021-10-07 WO claimed
US-20210300961-A1 METHOD FOR PREPARING 3'-O-AMINO-2'-DEOXYRIBONUCLEOSIDE-5'-TRIPHOSPHATES DNA SCRIPT SAS (FR) 2021-09-30 US claimed
CN-113402403-A Preparation process of o-aminophenyl ethyl ether 江苏普洛德化学科技有限公司 2021-09-17 CN claimed
CN-102464305-A Multi-metal chalcogenide and preparation method thereof HELIOHAWK OPTOELECTRONICS CORP 2012-05-23 CN claimed
EP-2170869-A1 ALCOHOLS CONTAINING IMIDE MOIETIES AND REACTIVE OLIGOMERS PREPARED THEREFROM Henkel AG & Co. KGaA (DE) 2010-04-07 EP claimed
CN-1219926-A Phenethanolamino-1, 2,3, 4-tetrahydronaphthalenyloxyalkyl amide derivatives KISSEI PHARMACEUTICAL (JP) 1999-06-16 CN claimed
CN-1216526-A 3,4-disubstituted phenylethanolaminotetra lincarboxamide derivatives KISSEI PHARMACEUTICAL (JP) 1999-05-12 CN claimed
US-5495031-A Process for the production of 7-(substituted)-9-[(substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1996-02-27 US claimed
US-5495032-A AMINATION OF THE CORRESPONDING HALOGEN CONTAINING COMPOUND AMERICAN CYANAMID COMPANY (US) 1996-02-27 US claimed
US-5466684-A 7-(substituted)-9-[(substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1995-11-14 US claimed
US-5457096-A Antibiotic AMERICAN CYANAMID COMPANY (US) 1995-10-10 US claimed
US-5420272-A 7-(substituted)-8-(substituted)-9-](substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1995-05-30 US claimed
US-5371076-A ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1994-12-06 US claimed
US-5328902-A Antibiotics AMERICAN CYANAMID CO. (US) 1994-07-12 US claimed
US-3984472-A Preparation of N,N-dialkyl p-vinyl anilines POLAROID CORPORATION (US) 1976-10-05 US 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 (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-20210300961-A1 METHOD FOR PREPARING 3'-O-AMINO-2'-DEOXYRIBONUCLEOSIDE-5'-TRIPHOSPHATES DUT, RNMT, NUDT1 IDO1 997/4885AGXT 971/4885CA1 4810/4885

“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.