SCHEMBL177531

SCHEMBL177531

Cc1cc(CBr)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
DAO P14920 1/20 0.44
MMP13 P45452 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MPO P05164 1/20 0.38
ACHE P22303 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL119145 0.82 DAO (0.44) SLC6A2SLC6A4SLC6A3DAOHDAC1
SCHEMBL29783285 0.82 DAO (0.44) SLC6A2SLC6A4SLC6A3DAOHDAC1
SCHEMBL17971122 0.81 ESR1 (0.54) SLC6A2SLC6A4SLC6A3DAOMMP13
SCHEMBL79669 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3DAOMMP13
SCHEMBL12993418 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3DAOMMP13
SCHEMBL6953517 0.79 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3DAOMMP13
SCHEMBL16646881 0.78 HRH3 (0.46) SLC6A2SLC6A4SLC6A3DAOMMP13
SCHEMBL29410646 0.78 HTT (0.47) DAOCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL118519 0.78 HTT (0.47) DAOCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29559999 0.78 ALDH1A1 (0.40) HTR2AHTR2CHTR2BCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063504-A Fluoro phenyl phosphate compound, perovskite thin film, perovskite solar cell, preparation method, electric equipment and application 天合光能股份有限公司 2024-05-24 CN claimed
WO-2025129168-A1 TRIAZOLONE INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 US disclosed
US-20250163029-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2025-05-22 US disclosed
CN-118108676-B Benzenesulfonamide compound, pharmaceutical composition and application thereof 中国药科大学 2025-02-07 CN disclosed
WO-2024258728-A2 EPIDITHIODIKETOPIPERAZINE ANALOGS AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-12-19 WO disclosed
EP-3227270-B1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RES LAB (KR) 2024-11-13 EP disclosed
EP-4217062-B1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-10-09 EP disclosed
US-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS J. MICHAEL BISHOP INSTITUTE OF CANCER RESEARCH (CN) 2024-08-15 US disclosed
CN-114989164-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2024-08-13 CN disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 WO disclosed
WO-2004031188-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2004-04-15 WO disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
CN-1441775-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-09-10 CN disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO 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 (5 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-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, PNLIP, GOT2 SLC6A2 1874/4885SLC6A4 2249/4885SLC6A3 2388/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 SLC6A2 3427/4885SLC6A4 3867/4885SLC6A3 2433/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SLC6A2 3570/4885SLC6A4 4329/4885SLC6A3 3131/4885
US-20250163029-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE AND APPLICATION THEREOF DPYD, PNPO, TYMP SLC6A2 177/4885SLC6A4 175/4885SLC6A3 215/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 SLC6A2 3427/4885SLC6A4 3867/4885SLC6A3 2433/4885

“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.