SCHEMBL953775

SCHEMBL953775

O=C(O)c1c(Cl)cccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
DPP4 P27487 1/20 0.48
PBRM1 Q86U86 1/20 0.47
TSHR P16473 1/20 0.47
FEN1 P39748 1/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AKR1B1 P15121 1/20 0.42
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL4851263 0.84 CA12 (0.52) ALDH1A1TSHRKMT2AMEN1CA12
SCHEMBL80183 0.84 ALDH1A1 (0.64) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL15616798 0.83 ALDH1A1 (0.71) ALDH1A1PBRM1TSHRFEN1KMT2A
Hydrochloric Acid SCHEMBL8042412 0.81 ALDH1A1 (0.61) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL1041643 0.81 ALDH1A1 (0.61) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL7425018 0.81 ALDH1A1 (0.61) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL15540940 0.81 ALDH1A1 (0.50) ALDH1A1PBRM1TSHRFEN1KMT2A
SCHEMBL23908712 0.79 ALDH1A1 (0.58) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL19418807 0.76 CA12 (0.52) ALDH1A1TSHRFEN1KMT2AMEN1
SCHEMBL10415716 0.76 CA12 (0.70) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181076-A Preparation method of 2, 6-dihalogenated methyl benzoate 维思普新材料(苏州)有限公司 2022-03-15 CN claimed
US-20250360234-A1 RADIOLABELLED MGL PET LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2025-11-27 US disclosed
US-12383635-B2 Radiolabelled MGL PET ligands JANSSEN PHARMACEUTICA NV (BE) 2025-08-12 US disclosed
EP-4038070-B1 RADIOLABELLED MGL PET LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-09 EP disclosed
CN-114555596-B Radiolabelled MGL PET ligands 詹森药业有限公司 2025-02-25 CN disclosed
CN-118373804-A Preparation method of dihydrodibenzothiazepine derivative 博骥源(上海)生物医药有限公司 2024-07-23 CN disclosed
US-20240100198-A1 RADIOLABELLED MGL PET LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2024-03-28 US disclosed
US-11839663-B2 Radiolabelled MGL pet ligands JANSSEN PHARMACEUTICA NV (BE) 2023-12-12 US disclosed
EP-4038070-A1 RADIOLABELLED MGL PET LIGANDS Janssen Pharmaceutica NV (BE) 2022-08-10 EP disclosed
CN-114555596-A Radiolabeled MGL PET ligands 詹森药业有限公司 2022-05-27 CN disclosed
WO-2013186692-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-12-19 WO disclosed
CN-103209695-A Azabenzothiazole compounds, compositions and methods of use HOFFMANN LA ROCHE 2013-07-17 CN disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
CN-1268138-A Compounds ASTRA PHARMA PROD (GB) 2000-09-27 CN 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-20240100198-A1 RADIOLABELLED MGL PET LIGANDS MGLL, LPL, LIPC ALDH1A1 2498/4885DPP4 259/4885PBRM1 2886/4885
US-11839663-B2 Radiolabelled MGL pet ligands MGLL, LPL, LIPC ALDH1A1 2498/4885DPP4 259/4885PBRM1 2886/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 ALDH1A1 1061/4885DPP4 684/4885PBRM1 3336/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B ALDH1A1 412/4885DPP4 1033/4885PBRM1 1563/4885
US-12383635-B2 Radiolabelled MGL PET ligands MGLL, LPL, LIPC ALDH1A1 2498/4885DPP4 259/4885PBRM1 2886/4885
US-20250360234-A1 RADIOLABELLED MGL PET LIGANDS MGLL, LPL, LIPC ALDH1A1 2486/4885DPP4 303/4885PBRM1 2982/4885

“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.