SCHEMBL2545899

SCHEMBL2545899

OB(O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.56
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KCNJ1 P48048 1/20 0.51
HPGD P15428 1/20 0.51
AOC3 Q16853 1/20 0.49
AKR1C3 P42330 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HIF1A Q16665 3/20 0.48
EPAS1 Q99814 3/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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 SCHEMBL15323076 0.98 HRH3 (0.62) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL15332115 0.94 HRH3 (0.59) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL29113925 0.91 HRH3 (0.54) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL14934917 0.85 AKR1C3 (0.72) HRH3ALDH1A1HPGDAOC3AKR1C3
SCHEMBL15467001 0.84 HRH3 (0.87) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL2557827 0.83 HRH3 (0.65) HRH3SMN1; SMN2ALDH1A1
SCHEMBL421728 0.83 SIGMAR1 (0.55) HRH3ALDH1A1HTT
SCHEMBL1427526 0.81 HRH3 (0.69) HRH3SMN1; SMN2ALDH1A1
SCHEMBL29952315 0.81 HRH3 (0.69) HRH3SMN1; SMN2ALDH1A1
SCHEMBL875822 0.80 NCF1 (0.60) HRH3SMN1; SMN2NOS1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024016826-A1 6-POSITION SUBSTITUTED DIHYDROBENZO[E][1,2,3]OXATHIAZINE 2,2-DIOXIDE COMPOUND, PREPARATION THEREFOR, AND USE THEREOF 杭州市第七人民医院 2024-01-25 WO claimed
EP-2697227-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2014-02-19 EP claimed
WO-2012142237-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS NEWLINK GENETICKS CORPORATION (US) 2012-10-18 WO claimed
WO-2025243042-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILIN D THE UNIVERSITY OF LIVERPOOL (GB) 2025-11-27 WO disclosed
WO-2025228828-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT AND PREVENTION OF VIRAL DISEASES MERCK PATENT GMBH (DE) 2025-11-06 WO disclosed
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
US-12378224-B2 Heteroaryl compounds and their use as Mer inhibitors DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-08-05 US disclosed
WO-2025110699-A1 NOVEL COMPOUND AND USE THEREOF 주식회사 프로티어바이오텍 2025-05-30 WO disclosed
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2025-05-29 US disclosed
CN-114026089-B Substituted naphthalimides and uses thereof UCL商业有限责任公司 2025-05-13 CN disclosed
EP-4548919-A2 SUBSTITUTED NAPHTHALENE DIIMIDES AND THEIR USE UCL Business Ltd (GB) 2025-05-07 EP disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO disclosed
EP-1833816-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2007-09-19 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed
US-6919382-B2 Preparation and uses of conjugated solid supports for boronic acids THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2005-07-19 US disclosed
EP-1230224-B1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2004-12-29 EP disclosed
US-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed
US-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids GOVERNORS OF THE UNIVERSITY OF ALBERTA, THE (CA) 2003-03-06 US 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 (5 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB HRH3 3648/4885SMN1; SMN2 3836/4885NOS3 1621/4885
US-12378224-B2 Heteroaryl compounds and their use as Mer inhibitors MERTK, RET, ERBB2 HRH3 251/4885SMN1; SMN2 2563/4885NOS3 2276/4885
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 HRH3 756/4885SMN1; SMN2 3994/4885NOS3 2583/4885
US-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids SLC43A1, SBDS, SLC7A5 HRH3 283/4885SMN1; SMN2 3648/4885NOS3 3780/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 HRH3 977/4885SMN1; SMN2 3064/4885NOS3 2980/4885

“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.