SCHEMBL81273

SCHEMBL81273

FC(F)(F)c1ccc(I)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.48
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
AHR P35869 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN5 P54829 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
DAO P14920 1/20 0.37
MCL1 Q07820 3/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL31615153 1.00 PDE2A (0.48) PDE2ANOTUMALDH1A1MAPTAHR
SCHEMBL82230 0.82 NOTUM (0.47) PDE2ANOTUMALDH1A1MAPTAHR
SCHEMBL21358568 0.79 AR (0.50) NOTUMTSHRMEN1KMT2A
SCHEMBL7863217 0.78 PTPN5 (0.41) NOTUMALDH1A1TSHRPTPN5
SCHEMBL980201 0.78 TSHR (0.61) PDE2AALDH1A1MAPTAHRTSHR
SCHEMBL29402881 0.78 TSHR (0.61) PDE2AALDH1A1MAPTAHRTSHR
Water SCHEMBL27564241 0.77 PDE2A (0.48) PDE2AALDH1A1MAPTAHRTSHR
SCHEMBL19785361 0.76 PDE2A (0.52) PDE2AALDH1A1MAPTAHRTSHR
Ammonia Solution, Strong SCHEMBL28020319 0.76 TSHR (0.58) PDE2AALDH1A1MAPTAHRTSHR
SCHEMBL22366856 0.75 GABRB3 (0.44) PDE2ANOTUMALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176772-A Compound with Mrgpr X receptor inhibition effect and application thereof 博济医药科技股份有限公司 2024-12-24 CN disclosed
CN-118265696-A Aryl carboxylic acid compound and application thereof in preparation of Mrgpr X < 4 > inhibitor 深圳博瑞医药科技有限公司 2024-06-28 CN disclosed
WO-2024098210-A1 ARYL CARBOXYLIC ACID COMPOUND AND USE THEREOF IN PREPARATION OF MRGPR X4 INHIBITOR 深圳博瑞医药科技有限公司 2024-05-16 WO disclosed
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2024-05-16 US disclosed
CN-117683044-A Preparation method and application of asymmetric diaryl trithiophene/selenophene small molecular material 中国科学院大学 2024-03-12 CN disclosed
CN-116813475-A Halogenated synthesis method of aromatic ring compound 北京大学 2023-09-29 CN disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 US disclosed
WO-2022235875-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SαAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-11-10 WO disclosed
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
EP-3434668-B1 INDOLO-SUBSTITUTED-PIPERIDINE COMPOUNDS AS ESTROGEN RECEPTOR DEGRADING AGENT LUOXIN PHARMACEUTICAL SHANGHAI CO LTD (CN) 2020-08-26 EP disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
WO-2005023260-A1 1- (2-AMINO-BENZOL) -PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
EP-1497277-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2005-01-19 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith NOVARTIS AG (CH) 2004-05-13 US disclosed
WO-2003089422-A1 BENZOPYRANONE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-30 WO disclosed
US-6620838-B1 Anticarcinogenic, antimestasis, and antiarthritic agents; osteoporosis and endometriosis treatment SIGNAL PHARMACEUTICALS, INC. 2003-09-16 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 (6 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-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME AHR, CBR3, AADAC PDE2A 2793/4885NOTUM 11/4885ALDH1A1 319/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT PDE2A 202/4885NOTUM 2965/4885ALDH1A1 582/4885
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R PDE2A 2080/4885NOTUM 3006/4885ALDH1A1 4267/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 PDE2A 2721/4885NOTUM 1722/4885ALDH1A1 2542/4885
US-20040092572-A1 Benzopyranone compounds, compositions thereof, and methods of treatment therewith ESR2, ESRRA, ESR1 PDE2A 3558/4885NOTUM 2747/4885ALDH1A1 536/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS PDE2A 184/4885NOTUM 666/4885ALDH1A1 170/4885

“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.