Sugi Predict

Sugi Predict / Compounds / SCHEMBL310367

SCHEMBL310367

SCHEMBL310367

COc1ccc(COc2cc(Br)cc(Br)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.60
▸ APP P05067 7/20 0.58
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ IDO1 P14902 1/20 0.50
▸ AGXT P21549 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SMPD1 P17405 1/20 0.49
▸ FFAR1 O14842 1/20 0.49

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
SCHEMBL7240384 0.89 MAOB (0.53) MAOBAPPNPC1RAB9APOLB
SCHEMBL7240044 0.89 MAOB (0.53) MAOBAPPNPC1RAB9APOLB
SCHEMBL3930569 0.89 APP (0.63) MAOBAPPNPC1RAB9APOLB
SCHEMBL309260 0.86 MAOB (0.50) MAOBAPPNPC1RAB9APOLB
SCHEMBL18429678 0.85 MAOB (0.69) MAOBAPPNPC1RAB9APOLB
SCHEMBL2270908 0.85 MAOB (0.69) MAOBAPPNPC1RAB9APOLB
SCHEMBL17205237 0.85 MAOB (0.49) MAOBAPPNPC1RAB9APOLB
SCHEMBL13690355 0.85 MAOB (0.49) MAOBAPPNPC1RAB9APOLB
SCHEMBL3639311 0.85 NPC1 (0.66) MAOBAPPNPC1RAB9APOLB
SCHEMBL1195442 0.85 MAOB (0.49) MAOBAPPNPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164835-A2 PROCESS FOR PREPARING TRIAZOLONES F. Hoffmann-Roche AG (CH) 2010-03-24 — — EP claimed
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes ROCHE PALO ALTO LLC 2009-01-08 — — US claimed
WO-2008145563-A2 PROCESS FOR PREPARING TRIAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 — — WO claimed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 — — US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 — — US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 — — US disclosed
US-7906540-B2 Antivirals for HIV and AIDS; compounds are 2-1,2,4-triazolin-5-ones, substituted with aryl(oxy)methyl or benzylamino at position 3; use in combination with antivirals; treating drug resistance infections ROCHE PALO ALTO LLC (US) 2011-03-15 — — US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 — — EP disclosed
EP-2142520-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-13 — — EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 — — WO disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 — — WO disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 — — US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 — — US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 — — US disclosed
US-20080249151-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-10-09 — — US disclosed
WO-2008119662-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 — — WO disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 — — WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 — — 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 (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-20080249151-A1 Non-nucleoside reverse transcriptase inhibitors QTRT1, RTF1, REV1 MAOB 1048/4885APP 2859/4885NPC1 796/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 MAOB 4043/4885APP 4885/4885NPC1 2367/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 MAOB 4181/4885APP 4820/4885NPC1 1074/4885
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes POLRMT, TYMS, POLR1G MAOB 1593/4885APP 3451/4885NPC1 2270/4885

“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.