SCHEMBL3048607

SCHEMBL3048607

OC(c1ccccn1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KDM4E B2RXH2 2/20 0.52
KCNA5 P22460 6/20 0.47
KCNE1 P15382 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL29864658 1.00 MAPT (0.55) MAPTSLC6A2SLC6A4SLC6A3KDM4E
Hydrochloric Acid SCHEMBL10324019 0.97 MAPT (0.53) MAPTSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL28799220 0.97 MAPT (0.53) MAPTSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL10324020 0.91 MAPT (0.49) MAPTSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL23610057 0.86 SLC6A2 (0.63) MAPTSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL31143614 0.86 SLC6A2 (0.63) MAPTSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL31143646 0.86 SLC6A2 (0.63) MAPTSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL477369 0.86 SLC6A2 (0.63) MAPTSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL9777431 0.84 SLC6A2 (0.54) MAPTSLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL4273441 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109046259-B Modified mesoporous silica material, preparation method and application thereof 上海海关工业品与原材料检测技术中心 2021-08-06 CN claimed
CN-102633821-B copper complex built by pyrimidine carboxylic acid base ligand, preparation method and use of copper complex UNIV NANJING INF SCI & TECH 2014-08-06 CN claimed
CN-102633821-A copper complex built by pyrimidine carboxylic acid base ligand, preparation method and use of copper complex UNIV NANJING INF SCI & TECH 2012-08-15 CN claimed
US-12116365-B2 Heterocyclic compounds and uses thereof Opna Bio SA (CH) 2024-10-15 US disclosed
CN-114901646-B Benzotriazine bisoxides and pharmaceutical compositions thereof 浙江瑞臻医药有限公司 2024-06-04 CN disclosed
WO-2023019912-A9 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-06-01 WO disclosed
WO-2023019912-A9 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-06-01 WO disclosed
WO-2023019912-A1 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-02-23 WO disclosed
WO-2023019912-A1 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-02-23 WO disclosed
US-20220356183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2022-11-10 US disclosed
EP-4071149-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Immuno Oncology, SA (CH) 2022-10-12 EP disclosed
US-6617299-B1 Contacting the textile with a ligand which forms a complex with a transition metal, whereby the complex catalyses bleaching of the textile by atmospheric oxygen without use of aldehydes, wherein at UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-09-09 US disclosed
EP-1165738-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-01-02 EP disclosed
WO-2000060044-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2000-10-12 WO disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
EP-0569598-A1 BENZOXAZINONE DERIVATIVE JAPAN TOBACCO INC. (JP) 1993-11-18 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP 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 (2 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-12116365-B2 Heterocyclic compounds and uses thereof CYP11B2, CYP11B1, UGT2B7 MAPT 2326/4885SLC6A2 2213/4885SLC6A4 3035/4885
US-20220356183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, UGT2B7 MAPT 2326/4885SLC6A2 2213/4885SLC6A4 3035/4885

“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.