SCHEMBL2074728

SCHEMBL2074728

O=CNC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
GRM7 Q14831 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGDS O60760 1/20 0.38
TACR1 P25103 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38

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
SCHEMBL26828919 0.88 KMT2A (0.46) EPHX1MTORRAB9AGRM7KMT2A
Pyridine SCHEMBL28928066 0.88 CFTR (0.44) EPHX1MTORRAB9AGRM7KMT2A
SCHEMBL4481760 0.88 ALDH1A1 (0.43) EPHX1MTORRAB9AGRM7KMT2A
SCHEMBL14166304 0.83 HPGDS (0.42) EPHX1RAB9AKMT2AMEN1TSHR
SCHEMBL9220681 0.80 EPHX1 (0.54) EPHX1KMT2AMEN1TAAR1TSHR
SCHEMBL5575925 0.78 EPHX1 (0.47) EPHX1MTORRAB9AGRM7KMT2A
SCHEMBL22867984 0.78 NR3C1 (0.39) KMT2AMEN1KDM4ELMNA
SCHEMBL5565812 0.76 KMT2A (0.52) EPHX1KMT2AMEN1TAAR1CYP3A4
SCHEMBL5675448 0.76 EPHX1 (0.45) EPHX1MTORRAB9AGRM7KMT2A
SCHEMBL7042356 0.76 ESR1 (0.41) MTORRAB9AKMT2AMEN1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118355112-A Hydrogel particles as feeder cells and as synthetic antigen presenting cells 弹弓生物科学公司 2024-07-16 CN claimed
US-7410986-B2 4-6-diphenyl pyridine derivatives as antiinflammatory agents BAYER AKTIENGESELLSCHAFT (DE) 2008-08-12 US claimed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP claimed
US-20040097563-A1 4-6-Diphenyl pyridine derivatives as antiinflammatory agents BAYER AKTIENGESELLSCHAFT (DE) 2004-05-20 US claimed
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
EP-1339687-A1 4-6-DIPHENYL PYRIDINE DERIVATIVES AS ANTIINFLAMMATORY AGENTS Bayer Aktiengesellschaft (DE) 2003-09-03 EP claimed
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP claimed
US-6562811-B1 Inhibit I kappa B kinase beta (IKK- beta or IKK-beta) activity, thus inhibit nuclear factor kappa B (NF- kappa B) and can be used for the prophylaxis and treatment of inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US claimed
WO-2002044153-A1 4-6-DIPHENYL PYRIDINE DERIVATIVES AS ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-06 WO claimed
US-5777134-A 4-oxa and 4-thia steriods MERCK & CO., INC. (US) 1998-07-07 US claimed
EP-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 EP claimed
CN-1152316-A Oxidation of steroids having allylic groups MERCK & CO INC (US) 1997-06-18 CN claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO claimed
US-5543406-A TREATING ANDROGEN RESPONSIVE OR MEDIATED DISEASE GLAXO WELLCOME, INC. (US) 1996-08-06 US claimed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO claimed
EP-0641356-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC. (US) 1995-03-08 EP claimed
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 WO claimed
US-4438136-A INHIBITION OF THROMBOXANE ACTIVITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-20 US claimed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040097563-A1 4-6-Diphenyl pyridine derivatives as antiinflammatory agents IL6, HRH4, CXCR6 EPHX1 437/4885MTOR 2612/4885RAB9A 3676/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ EPHX1 593/4885MTOR 1665/4885RAB9A 1895/4885

“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.