SCHEMBL754025

SCHEMBL754025

Nc1cc(Br)ccc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
PLAU P00749 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CHEK1 O14757 1/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 1/20 0.35
GPR35 Q9HC97 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL2540684 0.83 KDM4E (0.38) KDM4EGLASLC6A2SLC6A4SLC6A3
SCHEMBL29729453 0.82 KDM4E (0.45) KDM4EGLAPTGDR2SLC6A2SLC6A4
SCHEMBL789726 0.82 KDM4E (0.45) KDM4EGLAPTGDR2SLC6A2SLC6A4
SCHEMBL29429850 0.81 ALDH1A1 (0.39) KDM4EGLAMAPTALDH1A1MEN1
Bromide SCHEMBL7921725 0.80 KDM4E (0.44) KDM4EGLAPTGDR2SLC6A2SLC6A4
SCHEMBL30528616 0.79 CYP2A6 (0.46) KDM4EGLAMAPTALDH1A1MEN1
SCHEMBL560494 0.79 KDM4E (0.42) KDM4EGLAMAPTALDH1A1MEN1
SCHEMBL30673419 0.79 KDM4E (0.42) KDM4EGLAMAPTALDH1A1MEN1
SCHEMBL3923194 0.79 CYP2A6 (0.46) KDM4EGLAMAPTALDH1A1MEN1
SCHEMBL29417721 0.78 PTGDR2 (0.48) PTGDR2SLC6A2SLC6A4SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 EP disclosed
EP-3873467-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-08-28 EP disclosed
CN-118047775-A Iodo-indolo [2,3-b ] quinoline compound, and preparation method and application thereof 盐城工学院 2024-05-17 CN disclosed
US-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME LLC (US) 2024-04-30 US disclosed
WO-2023028341-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. (US) 2023-03-02 WO disclosed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO disclosed
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
EP-3873467-A2 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2021-09-08 EP disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-11077115-B2 Rorgamma modulators and uses thereof GENFIT (FR) 2021-08-03 US disclosed
US-7879845-B2 Liver carnitine-dependent palmitoyltransferase (L-CPT1) inhibitors such as 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl]-amino}-benzoic acid, used for the treatment of non-insulin dependent diabetes; antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 US disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
EP-2229364-A2 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-09-22 EP disclosed
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US disclosed
US-7696200-B2 Bicyclic sulfonamide derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
WO-2009071631-A2 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-11 WO disclosed
CN-101379044-A Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 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-11970479-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM1 KDM4E 1713/4885GLA 3697/4885PTGDR2 513/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 KDM4E 2948/4885GLA 3355/4885PTGDR2 1824/4885
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS TRPA1, TRPV1, TRPV2 KDM4E 4490/4885GLA 4316/4885PTGDR2 127/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 KDM4E 2948/4885GLA 3355/4885PTGDR2 1824/4885
US-20210395224-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM1 KDM4E 1713/4885GLA 3697/4885PTGDR2 513/4885
US-11077115-B2 Rorgamma modulators and uses thereof RORB, RORC, RORA KDM4E 2276/4885GLA 1130/4885PTGDR2 520/4885

“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.