SCHEMBL933759

SCHEMBL933759

CCOC(OCC)c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
TDO2 P48775 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
LTA4H P09960 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTGS2 P35354 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL29896649 1.00 IDO1 (0.39) IDO1TDO2HTTALDH1A1CYP2C19
SCHEMBL28343103 0.85 ALDH1A1 (0.36) IDO1TDO2HTTALDH1A1CYP2C19
SCHEMBL22824151 0.82 HTT (0.40) IDO1TDO2HTTALDH1A1CYP2C19
SCHEMBL898540 0.77 ESR1 (0.50) ALDH1A1CYP2C19CYP3A4L3MBTL1CYP2C9
SCHEMBL699772 0.77 ALDH1A1 (0.38) ALDH1A1CYP2C19CYP3A4ALOX15L3MBTL1
SCHEMBL29898831 0.76 KAT6A (0.32) CYP3A4ALOX15HPGDTSHR
SCHEMBL933830 0.76 KAT6A (0.32) CYP3A4ALOX15HPGDTSHR
SCHEMBL6325 0.76 CYP2C19 (0.44) IDO1TDO2HTTALDH1A1CYP2C19
SCHEMBL29369499 0.76 CYP2C19 (0.44) IDO1TDO2HTTALDH1A1CYP2C19
SCHEMBL5397237 0.75 CA1 (0.48) IDO1TDO2HTTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-06-13 US disclosed
US-20240174663-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-05-30 US disclosed
US-11918984-B2 Annulation catalysts via direct C—H bond amination PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-03-05 US disclosed
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-27 US disclosed
EP-4301751-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS King's College London (GB) 2024-01-10 EP disclosed
EP-4301745-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS King's College London (GB) 2024-01-10 EP disclosed
WO-2022185055-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2022-09-09 WO disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-20 US disclosed
CN-211384996-U Formamido phenyl boric acid preparation reaction kettle device 武汉利昌医药科技有限公司 2020-09-01 CN disclosed
CN-1017893-B PROCESS FOR THE PREPARATION OF HETEROCYCLIC DERIVATIVES GLAXO SPA (IT) 1992-08-19 CN disclosed
US-5011848-A Cardiovascular disorders, hypotensive agents GLAXO, S.P.A. (IT) 1991-04-30 US disclosed
US-4801599-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS GLAXO S.P.A. (IT) 1989-01-31 US disclosed
CN-85107087-A The preparation technology of Hete rocyclic derivatives 1986-12-31 CN disclosed
US-4421924-A FROM GULONO-1,4-LACTONE PFIZER INC. (US) 1983-12-20 US disclosed
US-4283340-A VITAMINS PFIZER INC. (US) 1981-08-11 US disclosed
EP-0000243-B1 PROCESS FOR PREPARING 3,5:4,6- PROTECTED DERIVATIVES OF L- OR D- GULONIC ACID, THEIR USE IN PREPARING 2- KETO-L- OR D- GULONIC ACID OR THEIR ESTERS OR L- OR D- ASCORBIC ACID, AND CERTAIN NOVEL 2-NITRATO-GULONATE INTERMEDIATES PFIZER INC. (US) 1981-01-07 EP disclosed
US-4232168-A OXIDATION, HYDROLYSIS PFIZER INC. (US) 1980-11-04 US disclosed
EP-0000243-A1 Process for preparing 3,5:4,6- protected derivatives of L- or D- gulonic acid, their use in preparing 2- keto-L- or D- gulonic acid or their esters or L- or D- ascorbic acid, and certain novel 2-nitrato-gulonate intermediates PFIZER INC. (US) 1979-01-10 EP disclosed
US-4038386-A INOTROPIC AGENTS DEUTSCH GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-07-26 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-20240190854-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 IDO1 2567/4885TDO2 2594/4885HTT 434/4885
US-11918984-B2 Annulation catalysts via direct C—H bond amination AADAC, AOC1, CAD IDO1 915/4885TDO2 2322/4885HTT 1904/4885
US-20220016613-A1 NOVEL ANNULATION CATALYSTS VIA DIRECT C-H BOND AMINATION AADAC, CAD, AOC1 IDO1 618/4885TDO2 1875/4885HTT 1986/4885
US-20240174663-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 IDO1 2581/4885TDO2 2279/4885HTT 375/4885
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists API5, XIAP, BIRC5 IDO1 2419/4885TDO2 4660/4885HTT 2134/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 IDO1 4313/4885TDO2 4218/4885HTT 3622/4885

“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.