SCHEMBL207651

SCHEMBL207651

Clc1ccc2[c]c[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.43
CMA1 P23946 2/20 0.43
ALDH1A1 P00352 4/20 0.39
PSMB8 P28062 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
F7 P08709 1/20 0.39
LTA4H P09960 1/20 0.39
F3 P13726 1/20 0.39
NR4A2 P43354 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 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
SCHEMBL207490 0.84 AHR (0.42) AHRCMA1ALDH1A1PSMB8HPGD
SCHEMBL207189 0.76 KIF11 (0.35) ALDH1A1HPGDNR4A2POLBNOS1
SCHEMBL207535 0.76 AHR (0.42) AHRALDH1A1NR4A2GPR84NOS1
SCHEMBL17423817 0.75
SCHEMBL6357105 0.71 ALDH1A1 (0.37) ALDH1A1TSHRALOX15HSD17B10KDM4E
SCHEMBL1968319 0.71 MEN1 (0.47) ALDH1A1PSMB8HPGDTSHRPOLB
SCHEMBL4502393 0.70 KDM4E (0.49) ALDH1A1HPGDTSHRPOLBHSD17B10
SCHEMBL649172 0.69 CYP3A4 (0.49) ALDH1A1PSMB8TSHRPOLBALOX15
SCHEMBL152187 0.68 CSNK2A1 (0.44) AHR
SCHEMBL10355483 0.68 TSHR (0.39) ALDH1A1HPGDTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024052431-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2024-03-14 WO claimed
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis ZHENGZHOU UNIVERSITY (CN) 2022-06-28 US claimed
CN-109824654-B 15-methylene-14-deoxy-11, 12-dehydroandrographolide derivatives and pharmaceutical application thereof 郑州大学 2022-04-08 CN claimed
CN-113152091-A Polysaccharide-based hydrogel-based fabric for visually detecting escherichia coli and pH response and preparation method thereof 东华大学 2021-07-23 CN claimed
CN-111533767-A Tetradentate phosphine ligand and preparation method thereof, hydroformylation catalyst and reaction method, and preparation method of 1, 3-propylene glycol 卢海元 2020-08-14 CN claimed
CN-111170954-A Phenalenone compounds and application thereof 大连理工大学 2020-05-19 CN claimed
EP-3608313-A1 15-IDENE-14-DEOXY-11,12-DEHYDROANDROGRAPHOLIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARING ANTI-FIBROSIS DRUGS Zhengzhou University (CN) 2020-02-12 EP claimed
US-20200030280-A1 ANDROGRAPHOLIDE DERIVATIVES AND METHOD OF USING THE SAME FOR TREATMENT OR PREVENTION OF FIBROSIS ZHENGZHOU UNIVERSITY (CN) 2020-01-30 US claimed
WO-2016007837-A1 CARBONYL LINKED BICYCLIC HETEROARYL ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-01-14 WO claimed
EP-2836839-A1 METHOD AND KIT FOR DETECTING THE LH PREOVULATORY SURGE Repropharm (FR) 2015-02-18 EP claimed
US-20030130335-A1 Bis-Heteroaryl alkanes as therapeutic agents TRANSTECH PHARMA, LLC 2003-07-10 US claimed
WO-2003035896-A2 CHROMOGENIC ENZYME SUBSTRATES AND METHOD FOR DETECTING BETA-D-RIBOFURANOSIDASE ACTIVITY BURTON MICHAEL (GB) 2003-05-01 WO claimed
WO-2003032982-A1 BIS-HETEROARYL ALKANES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2003-04-24 WO claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-6333339-B1 CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) 2001-12-25 US claimed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US claimed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US claimed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
US-5210022-A Substrates sensitive to beta-galactosidase and beta-glucuronidase, quantitative analysis RCR SCIENTIFIC, INC. (US) 1993-05-11 US claimed

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-20200030280-A1 ANDROGRAPHOLIDE DERIVATIVES AND METHOD OF USING THE SAME FOR TREATMENT OR PREVENTION OF FIBROSIS MMP1, CYP27A1, PYGL AHR 2725/4885CMA1 345/4885ALDH1A1 356/4885
US-20030130335-A1 Bis-Heteroaryl alkanes as therapeutic agents PTPRG, PTPRS, PTPRJ AHR 90/4885CMA1 582/4885ALDH1A1 1952/4885
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis MMP1, CYP27A1, PYGL AHR 2725/4885CMA1 345/4885ALDH1A1 356/4885

“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.