Sugi Predict

Sugi Predict / Compounds / SCHEMBL3236287

SCHEMBL3236287

SCHEMBL3236287

BrCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ FOLH1 Q04609 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TRPA1 O75762 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL31388315 0.90 MEN1 (0.64) KMT2AMEN1MAPK1NPC1RAB9A
SCHEMBL2060386 0.90 MAPK1 (0.63) KMT2AMEN1MAPK1NPC1RAB9A
SCHEMBL3232932 0.90 MEN1 (0.64) KMT2AMEN1MAPK1NPC1RAB9A
Bromide SCHEMBL20482559 0.89 MAPK1 (0.61) KMT2AMEN1MAPK1NPC1RAB9A
SCHEMBL20482623 0.87 MEN1 (0.48) SLC2A1KMT2AMEN1MAPK1NPC1
SCHEMBL20482622 0.86 FFAR1 (0.47) KMT2AMEN1MAPK1FOLH1NPC1
SCHEMBL7339434 0.86 SLC2A1 (0.54) SLC2A1KMT2AMEN1FOLH1KDM4E
SCHEMBL3237202 0.86 RAB9A (0.56) MAPK1FOLH1RAB9AKDM4EMAPT
SCHEMBL23706506 0.84 MAPK1 (0.51) KMT2AMEN1MAPK1FOLH1NPC1
SCHEMBL20482580 0.84 MGAM (0.49) KMT2AMEN1MAPK1FOLH1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106456573-B Functionalized 1, 3-benzenediols for treating hepatic encephalopathy and methods of use thereof 康纳生物技术有限公司 2019-12-03 — — CN disclosed
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 — — EP disclosed
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 — — EP disclosed
EP-2258689-A1 Benzylated PDE4 inhibitors Biolipox AB (SE) 2010-12-08 — — EP disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 — — US disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 — — US disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 — — US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 — — US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 — — US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 — — US disclosed
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor RICHTER GEDEON NYRT. (HU) 2004-01-29 — — US disclosed
US-20030220352-A1 Benzylated PDE4 inhibitors INFLAZYME PHARMACEUTICALS LTD. (CA) 2003-11-27 — — US disclosed
US-20030186943-A1 Substituted gamma-phenyl-delta-lactams and uses related thereto INFLAZYME PHARMACEUTICALS LTD. (CA) 2003-10-02 — — US disclosed
US-6555572-B2 Reducing the vomiting side effects of phosphodiesterase inhibitors, e.g. Rolipram, Ariflo, by benzylation by benzyl bromide or a derivative INFLAZYME PHARMACEUTICALS LTD. (CA) 2003-04-29 — — US disclosed
EP-1265861-A2 BENZYLATED PDE4 INHIBITORS Inflazyme Pharmaceuticals, Ltd. (CA) 2002-12-18 — — EP disclosed
US-6458829-B1 OR LACTAMS THEY MAY BE FORMULATED INTO PHARMACEUTICAL COMPOSITIONS, AND/OR USED IN THE TREATMENT OR PREVENTION OF INFLAMMATION INFLAZYME PHARMACEUTICALS LTD. (CA) 2002-10-01 — — US disclosed
US-20020028842-A1 Benzylated PDE4 inhibitors BIOLIPOX AB (SE) 2002-03-07 — — US disclosed
WO-2001068600-A2 BENZYLATED PDE4 INHIBITORS INFLAZYME PHARMACEUTICALS LIMITED (CA) 2001-09-20 — — WO disclosed
EP-1112262-A1 SUBSTITUTED $g(g)-PHENYL-$g(D)-LACTONES AND ANALOGS THEREOF AND USES RELATED THERETO Inflazyme Pharmaceuticals, Ltd. (CA) 2001-07-04 — — EP disclosed
WO-2000014083-A1 SUBSTITUTED η-PHENYL-Δ-LACTONES AND ANALOGS THEREOF AND USES RELATED THERETO INFLAZYME PHARMACEUTICALS LTD. (CA) 2000-03-16 — — 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-20090111862-A1 Compound QPCT, SQOR, SDHA SLC2A1 3447/4885KMT2A 880/4885MEN1 287/4885
US-20030220352-A1 Benzylated PDE4 inhibitors PDE4B, PDE4A, PDE3B SLC2A1 3058/4885KMT2A 935/4885MEN1 2046/4885
US-20030186943-A1 Substituted gamma-phenyl-delta-lactams and uses related thereto DDO, GLA, PIGO SLC2A1 3392/4885KMT2A 4300/4885MEN1 3531/4885
US-20020028842-A1 Benzylated PDE4 inhibitors PDE4B, PDE4A, PDE3B SLC2A1 3058/4885KMT2A 935/4885MEN1 2046/4885
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STS, CYP21A2, SULT1E1 SLC2A1 3541/4885KMT2A 676/4885MEN1 1111/4885

“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.