SCHEMBL6732214

SCHEMBL6732214

COc1c(Cl)cc(OBOc2cc(Cl)c(OC)c(Cl)c2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ TAS1R3 Q7RTX0 3/20 0.38
▸ TAS1R1 Q7RTX1 3/20 0.38
▸ TAS1R2 Q8TE23 3/20 0.38
▸ TPMT P51580 1/20 0.36
▸ HPGD P15428 2/20 0.33
▸ DBH P09172 1/20 0.33
▸ PTGS2 P35354 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL8430640 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EGAATAS1R3TAS1R1
SCHEMBL11448 0.74 ALDH1A1 (0.36) ALDH1A1HTT
SCHEMBL24434 0.74 ACHE (0.52) ALDH1A1KDM4EHPGDPTGS2L3MBTL1
SCHEMBL15521815 0.73 ALDH1A1 (0.50) ALDH1A1PTGS2
SCHEMBL177471 0.72 CA12 (0.43) ALDH1A1GAATAS1R3TAS1R1HPGD
SCHEMBL5877432 0.72 ALDH1A1 (0.65) ALDH1A1PTGS2
SCHEMBL54507 0.72 KMT2A (0.47) ALDH1A1KDM4EGAATAS1R3TAS1R1
SCHEMBL12325399 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EGAATAS1R3TAS1R1
SCHEMBL3753027 0.70 ACHE (0.52) ALDH1A1KDM4EGAATAS1R3TAS1R1
SCHEMBL15513612 0.70 CYP3A4 (0.39) ALDH1A1KDM4EGAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369665-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR Ryvu Therapeutics S.A. (PL) 2020-11-26 — — US disclosed
EP-3645536-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR Ryvu Therapeutics S.A. (PL) 2020-05-06 — — EP disclosed
WO-2019002606-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR SELVITA S.A. (PL) 2019-01-03 — — WO disclosed
US-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-11-15 — — US disclosed
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-07-09 — — US disclosed
EP-2876109-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Yuhan Corporation (KR) 2015-05-27 — — EP disclosed
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2004-08-12 — — US disclosed
US-6677488-B2 AS AN EXAMPLE, 4-(4,5-DIFLUORO-2-(3-CHLORO-4-FLUOROPHENYL) PHENYLBENZENESULFONAMIDE; ANTIARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; PROSTAGLANDIN INHIBITORS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2004-01-13 — — US disclosed
US-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-11-14 — — US disclosed
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 — — EP disclosed
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 — — EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 — — 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 (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-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 ALDH1A1 241/4885KDM4E 2550/4885GAA 3646/4885
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME PIK3CD, PIK3CA, MTOR ALDH1A1 3470/4885KDM4E 2827/4885GAA 2774/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 ALDH1A1 241/4885KDM4E 2550/4885GAA 3646/4885
US-20200369665-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 ALDH1A1 591/4885KDM4E 4607/4885GAA 4390/4885

“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.

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