SCHEMBL348577

SCHEMBL348577

Cc1cc(Br)c(N)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 7/20 0.47
TSHR P16473 3/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA3 P07451 1/20 0.46
KDM4E B2RXH2 3/20 0.44
GSK3B P49841 1/20 0.39
CYP3A4 P08684 4/20 0.36
TP53 P04637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35

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
SCHEMBL6560116 0.97 MAPT (0.55) MAPTGAAALDH1A1TSHRCA1
SCHEMBL1814354 0.86 MAPT (0.43) MAPTGAAALDH1A1TSHRCA1
SCHEMBL80048 0.86 KDM4E (0.45) MAPTGAAALDH1A1TSHRCA1
Bromide SCHEMBL10915130 0.84 KDM4E (0.43) MAPTGAAALDH1A1TSHRCA1
SCHEMBL24629872 0.82 CA1 (0.50) MAPTGAAALDH1A1TSHRCA1
SCHEMBL6119395 0.82 CA1 (0.50) MAPTGAAALDH1A1TSHRCA1
SCHEMBL1394520 0.82 CA1 (0.50) MAPTGAAALDH1A1TSHRCA1
SCHEMBL5430807 0.78 HTT (0.39) MAPTGAAALDH1A1TSHRCA1
SCHEMBL15906147 0.78 MAPT (0.55) MAPTGAAALDH1A1KDM4ECYP3A4
SCHEMBL6119760 0.78 ADRB2 (0.44) MAPTGAAALDH1A1TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798252-A Method for preparing N-ortho-acyl substituted nitrogen-containing heterocyclic compound and amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2025-04-11 CN claimed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-119143751-A N-ortho-acyl substituted nitrogen-containing heterocyclic compound and preparation method of amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2024-12-17 CN claimed
CN-108250046-B Synthesis method of resveratrol 上海巧坤化工科技有限公司 2023-09-15 CN claimed
EP-3225681-B1 AVIATION FUEL AFTON CHEMICAL CORP (US) 2022-05-04 EP claimed
CN-114195706-A N-triphenylimine pyridine ligand, nickel and palladium complex thereof, and preparation and application of complex 黄山学院 2022-03-18 CN claimed
CN-113968796-A Preparation method of azo dye with excellent environment-friendly application performance 安徽清科瑞洁新材料有限公司 2022-01-25 CN claimed
CN-108640919-B Matrine derivative and sophoridine derivative containing aryl amidine or aminoquinoline structure and preparation method thereof 广西大学 2020-09-08 CN claimed
US-20170283728-A1 AVIATION FUEL ADDITIVE SCAVENGER AFTON CHEMICAL CORPORATION 2017-10-05 US claimed
EP-3225681-A1 AVIATION FUEL ADDITIVE SCAVENGER Afton Chemical Corporation (US) 2017-10-04 EP claimed
CN-103804428-B The preparation method of a kind of coordination compound and the application of coordination compound 中国石油化工股份有限公司 2016-12-21 CN claimed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
CN-116621729-B Perfluoro phenyl substituted salicylaldimine nickel complex, preparation method and application thereof 华东理工大学 2025-06-24 CN disclosed
CN-119798252-A Method for preparing N-ortho-acyl substituted nitrogen-containing heterocyclic compound and amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2025-04-11 CN disclosed
US-3978040-A Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3962209-A PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 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 (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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 MAPT 4642/4885GAA 4227/4885ALDH1A1 3722/4885

“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.