SCHEMBL190181

SCHEMBL190181

COc1ccc(COc2ccc(F)c(Br)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.55
▸ APP P05067 8/20 0.54
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SMPD1 P17405 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAOA P21397 1/20 0.47

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
SCHEMBL30065009 0.85 MAOB (0.57) MAOBRAB9ASMN1; SMN2MAOA
SCHEMBL8251097 0.85 MAOB (0.57) MAOBRAB9ASMN1; SMN2MAOA
SCHEMBL14700006 0.84 APP (0.47) MAOBAPPNPC1RAB9APOLB
SCHEMBL29468641 0.82 SMN1; SMN2 (0.46) MAOBPOLBSMN1; SMN2MAOA
SCHEMBL3900531 0.81 LTA4H (0.52) MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL25173929 0.80 MAOB (0.55) MAOBAPPNPC1RAB9ATDP1
SCHEMBL1042775 0.80 CA12 (0.46) —
SCHEMBL30180094 0.80 CA12 (0.46) —
SCHEMBL16769862 0.80 RXRA (0.39) MAOBMAOA
SCHEMBL14541925 0.79 MAOB (0.65) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 — — US disclosed
EP-2938615-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS GABAA RECEPTOR MODULATORS PFIZER LTD (GB) 2016-10-26 — — EP disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 — — US disclosed
EP-2938615-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS GABAA RECEPTOR MODULATORS Pfizer Limited (GB) 2015-11-04 — — EP disclosed
US-20150259352-A1 Chemical Compounds PFIZER LTD (GB) 2015-09-17 — — US disclosed
US-20150105396-A1 Chemical Compounds PFIZER LTD (GB) 2015-04-16 — — US disclosed
US-8952008-B2 Chemical compounds PFIZER LIMITED (GB) 2015-02-10 — — US disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 — — US disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 — — US disclosed
US-20140171435-A1 Chemical Compounds PFIZER LIMITED (GB) 2014-06-19 — — US disclosed
WO-2014091368-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS GABAA RECEPTOR MODULATORS PFIZER LIMITED (GB) 2014-06-19 — — WO disclosed
EP-2402347-A1 Pharmaceutical compounds F. Hoffmann-La Roche AG (CH) 2012-01-04 — — EP disclosed
EP-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 — — EP disclosed
EP-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 — — EP disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 — — US disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 — — 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 (6 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-20150259352-A1 Chemical Compounds GABRA5, GABRA4, GABRA3 MAOB 730/4885APP 3821/4885NPC1 2033/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB MAOB 4312/4885APP 4114/4885NPC1 1789/4885
US-20150105396-A1 Chemical Compounds GABRA5, GABRA4, GABRA3 MAOB 730/4885APP 3821/4885NPC1 2033/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 MAOB 2218/4885APP 2141/4885NPC1 250/4885
US-20140171435-A1 Chemical Compounds GABRA5, GABRA4, GABRA3 MAOB 730/4885APP 3821/4885NPC1 2033/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 MAOB 2218/4885APP 2141/4885NPC1 250/4885

“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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