SCHEMBL200586

SCHEMBL200586

CC(=O)c1cc(Br)cc(I)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.43
LMNA P02545 2/20 0.36
NOTUM Q6P988 1/20 0.33
MAOB P27338 5/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MAOA P21397 1/20 0.33
PARP1 P09874 1/20 0.32
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
TTR P02766 1/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL15709749 0.84 CA5A (0.52) CA5ALMNANOTUMMAOBAKR1C3
SCHEMBL343284 0.84 CA5A (0.52) CA5ALMNANOTUMMAOBAKR1C3
SCHEMBL10498367 0.84 CA5A (0.52) CA5ALMNATTRMAPTKMT2A
SCHEMBL13307545 0.84 CA5A (0.52) CA5ALMNATTRMAPTKMT2A
SCHEMBL29528960 0.80 TPMT (0.48) CA5ALMNAAKR1C3AKR1C2POLB
SCHEMBL200827 0.80 TPMT (0.48) CA5ALMNAAKR1C3AKR1C2POLB
SCHEMBL3397238 0.78 PARP1 (0.32) NOTUMPARP1POLBHCAR2
SCHEMBL5223135 0.78 PARP1 (0.50) LMNAPARP1POLBMAPTKMT2A
SCHEMBL2260191 0.78 SMN1; SMN2 (0.40) LMNANOTUMMAPTHPGDL3MBTL1
SCHEMBL29528630 0.78 NOTUM (0.57) LMNANOTUMPOLBMAPTHPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
WO-2023072849-A1 PESTICIDALLY ACTIVE PYRIDAZINONE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-04 WO disclosed
EP-2411358-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
WO-2010108856-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 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 (4 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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 CA5A 1358/4885LMNA 3209/4885NOTUM 4318/4885
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S CA5A 2226/4885LMNA 1300/4885NOTUM 567/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 CA5A 1358/4885LMNA 3209/4885NOTUM 4318/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 CA5A 1358/4885LMNA 3209/4885NOTUM 4318/4885

“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.