SCHEMBL1805526

SCHEMBL1805526

CC(C)c1cc(OCc2ccccc2)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.56
▸ MAOB P27338 8/20 0.53
▸ HRH3 Q9Y5N1 3/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ GLRA1 P23415 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ MAOA P21397 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL30768511 0.88 MAOB (0.50) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL27010416 0.85 ALOX5 (0.61) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL7385585 0.85 MAOB (0.50) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL25316002 0.84 MAOB (0.53) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL17833746 0.83 ALOX5 (0.57) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL17615827 0.81 ALOX5 (0.56) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL30769482 0.80 MAOB (0.46) MAOBLMNASMN1; SMN2L3MBTL1
SCHEMBL13784398 0.80 MAOB (0.55) ALOX5MAOBHRH3LMNACYP1A2
SCHEMBL3823883 0.80 MAOB (0.62) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL27534964 0.80 MAOB (0.48) ALOX5MAOBLMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 — — US disclosed
US-10544083-B2 GPBP inhibition using Q2 peptidomimetics UNIVERSITAT DE VALÈNCIA (ES) 2020-01-28 — — US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 — — US disclosed
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2018-06-28 — — US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 — — US disclosed
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics JUAN SAUS (ES) 2016-03-24 — — US disclosed
US-9199936-B2 GPBP inhibition using Q2 peptidomimetics Fibrostatin Sociedad Limitada (ES) 2015-12-01 — — US disclosed
US-9199936-B2 GPBP inhibition using Q2 peptidomimetics Fibrostatin Sociedad Limitada (ES) 2015-12-01 — — US disclosed
EP-2496544-B1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN S L (SE) 2014-08-20 — — EP disclosed
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2014-03-20 — — US disclosed
WO-2011054530-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN, S.L. (ES) 2011-05-12 — — WO disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 — — US disclosed
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics FIBROSTATIN, S.L. (ES) 2011-05-05 — — US disclosed
WO-2008099020-A1 1,1-DIOXO-1-THIA-5,10-DIAZADIBENZOCYCLOHEPTENES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 — — WO disclosed
WO-2008099020-A1 1,1-DIOXO-1-THIA-5,10-DIAZADIBENZOCYCLOHEPTENES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-21 — — WO disclosed
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 — — EP disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 — — US disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 — — US disclosed
EP-0958282-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES Pfizer Products Inc. (US) 1999-11-24 — — EP disclosed
WO-1998034919-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PRODUCTS INC. (US) 1998-08-13 — — 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 (7 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-10544083-B2 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ALOX5 4543/4885MAOB 4852/4885HRH3 4016/4885
US-20140080852-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ALOX5 4543/4885MAOB 4852/4885HRH3 4016/4885
US-20110105545-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ALOX5 4543/4885MAOB 4852/4885HRH3 4016/4885
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 ALOX5 310/4885MAOB 255/4885HRH3 1109/4885
US-20180179139-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ALOX5 4543/4885MAOB 4852/4885HRH3 4016/4885
US-20160083327-A1 GPBP inhibition using Q2 peptidomimetics HSP90B1, ERP44, HSPA5 ALOX5 4543/4885MAOB 4852/4885HRH3 4016/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 ALOX5 1489/4885MAOB 96/4885HRH3 664/4885

“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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