SCHEMBL227231

SCHEMBL227231

O=C(O)c1ccc(OCc2ccccc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 1.00
NR4A2 P43354 2/20 0.60
NR4A1 P22736 1/20 0.60
NR4A3 Q92570 1/20 0.60
SRD5A2 P31213 1/20 0.55
MCL1 Q07820 3/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 1/20 0.53
PARP10 Q53GL7 1/20 0.53
PLA2G4B P0C869 1/20 0.53

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
SCHEMBL29929282 1.00 P4HTM (1.00) P4HTMNR4A2NR4A1NR4A3SRD5A2
SCHEMBL23488365 0.87 P4HTM (0.77) P4HTMNR4A2NR4A1NR4A3SRD5A2
SCHEMBL2186639 0.87 P4HTM (0.77) P4HTMNR4A2NR4A1NR4A3SRD5A2
SCHEMBL19405836 0.86 P4HTM (0.74) P4HTMNR4A2NR4A1NR4A3SRD5A2
SCHEMBL30222045 0.86 P4HTM (0.75) P4HTMPLA2G4BFFAR1ALKBH1
SCHEMBL3504363 0.86 P4HTM (0.75) P4HTMNR4A2MAOBPARP10CYP4F2
SCHEMBL20819400 0.84 P4HTM (0.73) P4HTMNR4A2NR4A1NR4A3SRD5A2
SCHEMBL21588085 0.84 P4HTM (0.73) P4HTMNR4A2NR4A1NR4A3SRD5A2
SCHEMBL20819382 0.84 P4HTM (0.73) P4HTMNR4A2NR4A1NR4A3SRD5A2
SCHEMBL11383635 0.84 P4HTM (0.73) P4HTMNR4A2NR4A1NR4A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 US claimed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 US claimed
EP-2467368-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
US-12291522-B2 Galectin-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-06 US disclosed
US-20230303538-A1 GALECTIN-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-09-28 US disclosed
CN-115768768-A Galectin-3 inhibitors 百时美施贵宝公司 2023-03-07 CN disclosed
WO-2021242982-A1 GALECTIN-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-02 WO disclosed
US-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN SANOFI (FR) 2021-06-10 US disclosed
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 US disclosed
EP-3418276-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2018-12-26 EP disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-1263756-B1 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-02-25 EP disclosed
CN-1420881-A Beta-amino acid derivs. as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL MYERS SQUIBB PHARMACEU (US) 2003-05-28 CN disclosed
US-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
US-4260620-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-07 US disclosed
US-4202901-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-13 US disclosed
US-4197302-A HYPOTENSIVE AGENTS, 5-ETHERIFIED, ALSO ESTERS, AMIDES, HYDRAZIDES CIBA-GEIGY CORPORATION (US) 1980-04-08 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 (7 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-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP P4HTM 1069/4885NR4A2 685/4885NR4A1 1719/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP P4HTM 958/4885NR4A2 819/4885NR4A1 2121/4885
US-20230303538-A1 GALECTIN-3 INHIBITORS LGALS3, LGALS1, LGALS3BP P4HTM 4550/4885NR4A2 4282/4885NR4A1 4048/4885
US-12291522-B2 Galectin-3 inhibitors LGALS3, LGALS1, LGALS3BP P4HTM 4550/4885NR4A2 4282/4885NR4A1 4048/4885
US-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 P4HTM 1793/4885NR4A2 2611/4885NR4A1 4102/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 P4HTM 336/4885NR4A2 1468/4885NR4A1 991/4885
US-20020013341-A1 Beta-Amino-Acid derivatives as inhibitors of matrix metalloproteases and TNF-Alpha TNF, XPNPEP1, MMP2 P4HTM 1703/4885NR4A2 2425/4885NR4A1 1940/4885

“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.