SCHEMBL789345

SCHEMBL789345

Cc1cc(Br)ccc1C(=O)NN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 3/20 0.55
OGG1 O15527 1/20 0.55
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
GPR27 Q9NS67 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
GFER P55789 1/20 0.46
MAPT P10636 6/20 0.44
POLB P06746 1/20 0.43
DHODH Q02127 1/20 0.43
LMNA P02545 2/20 0.43
P4HB P07237 1/20 0.43
P2RX7 Q99572 1/20 0.42
MYC P01106 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL12909242 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EGAAOGG1NPC1
SCHEMBL27007635 0.85 NPC1 (0.62) ALDH1A1GAAFLT1FLT4KDR
SCHEMBL1697081 0.83 FLT1 (0.54) ALDH1A1FLT1FLT4KDRGPR27
SCHEMBL21638090 0.82 OGG1 (0.55) ALDH1A1KDM4EGAAOGG1GFER
SCHEMBL3658275 0.82 FLT1 (0.50) ALDH1A1KDM4EFLT1FLT4KDR
SCHEMBL22441042 0.81 MYC (0.55) ALDH1A1KDM4EGAAOGG1GFER
SCHEMBL5504399 0.81 SMN1; SMN2 (0.58) ALDH1A1KDM4EFLT1FLT4KDR
SCHEMBL2800276 0.80 SMN1; SMN2 (0.50) ALDH1A1KDM4EFLT1FLT4KDR
SCHEMBL28840307 0.80 EGLN1 (0.51) ALDH1A1KDM4EFLT1FLT4KDR
SCHEMBL18978409 0.79 OGG1 (0.52) ALDH1A1KDM4EGAAOGG1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617777-B2 GPR84 antagonists and uses thereof Liminal Biosciences Limited (GB) 2026-05-05 US disclosed
EP-3953360-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN LA ROCHE (CH) 2024-02-28 EP disclosed
EP-4288427-A1 GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2023-12-13 EP disclosed
CN-117098757-A GPR84 antagonists and uses thereof 里米诺生物科学有限公司 2023-11-21 CN disclosed
US-20230113202-A1 GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2023-04-13 US disclosed
WO-2022167457-A1 GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2022-08-11 WO disclosed
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-05-05 US disclosed
EP-3953360-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. Hoffmann-La Roche AG (CH) 2022-02-16 EP disclosed
CN-113767105-A Heterocyclic compounds as inhibitors of monoacylglycerol lipases (MAGL) 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
WO-2020207941-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 WO disclosed
EP-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-7605171-B2 (3,4-disubstituted)propanoic carboxylates as S1P (Edg) receptor agonists MERCK & CO., INC. (US) 2009-10-20 US disclosed
WO-2009094205-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2009-07-30 WO disclosed
EP-1697333-A4 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS MERCK & CO INC (US) 2009-07-08 EP disclosed
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists MERCK & CO., INC. (US) 2008-10-09 US disclosed
CN-1894225-A (3, 4-disubstituted) propanoates as sphingosine 1-phosphate (endothelial differentiation gene) receptor agonists MERCK & CO INC (US) 2007-01-10 CN disclosed
EP-1697333-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005058848-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-06-30 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-20230113202-A1 GPR84 ANTAGONISTS AND USES THEREOF GPR84, GPR88, GPR65 ALDH1A1 1663/4885KDM4E 3770/4885GAA 1299/4885
US-12617777-B2 GPR84 antagonists and uses thereof GPR84, GPR88, GPR3 ALDH1A1 2463/4885KDM4E 4567/4885GAA 4713/4885
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LIPC, PNLIP ALDH1A1 328/4885KDM4E 1758/4885GAA 63/4885
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 ALDH1A1 671/4885KDM4E 2066/4885GAA 1730/4885
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists S1PR1, S1PR3, S1PR5 ALDH1A1 740/4885KDM4E 2051/4885GAA 3443/4885

“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.