Sugi Predict

Sugi Predict / Compounds / SCHEMBL586533

SCHEMBL586533

SCHEMBL586533

FC(F)(F)c1ccc2c(c1)CC[N]C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 4/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ HTR2A P28223 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ ASIC3 Q9UHC3 1/20 0.36
▸ PHGDH O43175 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CTSD P07339 1/20 0.33

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
SCHEMBL2300516 0.93 PNMT (0.39) PNMTPARP1PARP10TDP2HTR2A
SCHEMBL585810 0.84 PNMT (0.43) PNMTPARP1PARP10TDP2HTR2A
SCHEMBL2094044 0.82 PDE4B (0.46) —
SCHEMBL3244884 0.81 ALDH1A1 (0.35) —
SCHEMBL3121169 0.79 CHRNB2 (0.35) POLB
SCHEMBL30074109 0.75 PNMT (0.39) PNMTPARP1PARP10TDP2HTR2A
SCHEMBL2089891 0.75 KIF11 (0.33) —
SCHEMBL585671 0.75 HTR5A (0.37) PARP1PARP10HTR2AHTR2CHTR2B
SCHEMBL2387705 0.74 PNMT (0.44) PNMTPARP1PARP10TDP2HTR2A
SCHEMBL16867892 0.74 KCNH2 (0.46) PNMTPARP1PARP10TDP2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280989-B1 CYCLOSPORIN ANALOGS AND THEIR USE IN THE TREATMENT OF HCV INFECTIONS SCYNEXIS INC (US) 2016-02-10 — — EP claimed
US-9090671-B2 Macrocyclic peptides SCYNEXIS, INC. (US) 2015-07-28 — — US claimed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 — — EP claimed
WO-2010002428-A2 NOVEL MACROCYCLIC PEPTIDES SCYNEXIS, INC. (US) 2010-01-07 — — WO claimed
US-20090312300-A1 NOVEL MACROCYCLIC PEPTIDES CYPRALIS LIMITED (GB) 2009-12-17 — — US claimed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 — — WO claimed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 — — US claimed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 — — US disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 — — US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 — — US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 — — US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 — — US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 — — US disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 — — EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 — — US disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 — — WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO disclosed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 — — WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 — — 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 (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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 PNMT 1914/4885PARP1 1401/4885PARP10 1098/4885
US-20090312300-A1 NOVEL MACROCYCLIC PEPTIDES CHP1, SARS1, HAVCR2 PNMT 2877/4885PARP1 4604/4885PARP10 4246/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I PNMT 392/4885PARP1 2314/4885PARP10 1061/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PNMT 3521/4885PARP1 2086/4885PARP10 2387/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PNMT 3521/4885PARP1 2086/4885PARP10 2387/4885

“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.