SCHEMBL3744463

SCHEMBL3744463

CCCCCCCCCC=N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
THRB P10828 1/20 0.50
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
DNM1 Q05193 3/20 0.45
EP300 Q09472 1/20 0.41
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3747325 1.00
SCHEMBL31094592 1.00 TSHR (0.52) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL5552968 1.00 TSHR (0.52) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL1546235 1.00
SCHEMBL17848839 1.00 TSHR (0.52) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL3742815 1.00 TSHR (0.52) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL23869543 1.00 TSHR (0.52) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL3742821 1.00 TSHR (0.52) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL3684198 1.00 TSHR (0.52) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL27871715 1.00 TSHR (0.52) TSHRTHRBFAAHTRPV1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925342-A Preparation method of ultrahigh molecular weight nylon 12 with low end group content 万华化学集团股份有限公司 2023-10-24 CN claimed
CN-112142683-B Aza-eleven-membered ring compound, preparation method and application thereof, and medicine containing compound 成都大学 2022-05-24 CN claimed
CN-107001367-A 2- [ bis (4-fluorophenyl) methyl ] -2, 7-diazaspiro [4.5] decan-10-one derivatives and related compounds as inhibitors of human Dopamine Active Transporter (DAT) protein for the treatment of e.g. Attention Deficit Disorder (ADD) 克罗诺斯治疗有限公司 2017-08-01 CN claimed
CN-104844656-A Non-sulfur and non-phosphorus organic molybdenum compound and preparation method and application thereof UNIV SHANGHAI JIAOTONG 2015-08-19 CN claimed
US-5594142-A USING SOLVENT MIXTURE AND BASIC CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-14 US claimed
WO-2024097805-A1 MIXED LINEAGE KINASE DOMAIN LIKE PSEUDOKINASE (MLKL) ACTIVATORS TRUSTEES OF TUFTS COLLEGE (US) 2024-05-10 WO disclosed
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2024-01-18 US disclosed
CN-116925342-A Preparation method of ultrahigh molecular weight nylon 12 with low end group content 万华化学集团股份有限公司 2023-10-24 CN disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
WO-2023009817-A2 PHOSPHATE PRODRUGS OF CANNABINOIDS EMORY UNIVERSITY (US) 2023-02-02 WO disclosed
CN-112142683-B Aza-eleven-membered ring compound, preparation method and application thereof, and medicine containing compound 成都大学 2022-05-24 CN disclosed
US-20210214607-A1 LONG WAVELENGTH EMITTING CHEMILUMINESCENT PROBES NEMIS TECHNOLOGIES AG (CH) 2021-07-15 US disclosed
CN-1152906-C Photoactive polyimides, polyamic acids or esters thereof with pendant photocrosslinkable groups 2004-06-09 CN disclosed
WO-2004046354-A1 OLIGORIBONUCLEOTIDES FOR TREATING DEGENERATIVE SKIN DISORDERS BY RNA INTERFERENCE BEIERSDORF AG (DE) 2004-06-03 WO disclosed
WO-2004018042-A2 USE OF ANTISENSE OLIGONUCLEOTIDES FOR TREATING DEGENERATIVE SKIN SYMPTOMS BEIERSDORF AG (DE) 2004-03-04 WO disclosed
EP-1305003-A2 USE OF A COMBINATION OF ACTIVE SUBSTANCES CONTAINING BIOQUINONES FOR THE PRODUCTION OF COSMETIC OR DERMATOLOGICAL PREPARATIONS GS DEVELOPMENT AB (SE) 2003-05-02 EP disclosed
CN-1395593-A Photoactive polyimides, polyamide acids or esters with side chain photocrosslinkable groups ROLIC AG (CH) 2003-02-05 CN disclosed
WO-2002009657-A1 USE OF BIOQUINONES FOR PRODUCING COSMETIC OR DERMATOLOGICAL PREPARATIONS FOR TREATING THE HAIR AND THE SCALP GS DEVELOPMENT A.B. (SE) 2002-02-07 WO disclosed
WO-2002009664-A2 USE OF A COMBINATION OF ACTIVE SUBSTANCES CONTAINING BIOQUINONES FOR THE PRODUCTION OF COSMETIC OR DERMATOLOGICAL PREPARATIONS GS DEVELOPMENT A.B. (SE) 2002-02-07 WO disclosed
US-4368311-A KETIMINE AND CUPRIC OR FERRIC COMPOUND PEROXID-CHEMIE GMBH (DE) 1983-01-11 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 (3 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 TSHR 3550/4885THRB 4456/4885FAAH 1426/4885
US-20210214607-A1 LONG WAVELENGTH EMITTING CHEMILUMINESCENT PROBES VEGFA, GUSB, NR2E3 TSHR 2913/4885THRB 2211/4885FAAH 2284/4885
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES PTGS1, PTGER1, PTGES2 TSHR 3299/4885THRB 1165/4885FAAH 189/4885

“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.