Sugi Predict

Sugi Predict / Compounds / SCHEMBL22408

SCHEMBL22408

SCHEMBL22408

Cc1c(C(=O)NCc2cccc(F)c2)c(Cl)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ CCR1 P32246 7/20 0.45
▸ MLYCD O95822 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TACR1 P25103 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CHRM4 P08173 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ ADORA2A P29274 1/20 0.42

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
SCHEMBL20313 0.89 MLYCD (0.45) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL30795400 0.88 KDM4E (0.49) ALDH1A1MEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL30478 0.88 MLYCD (0.43) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL21419 0.88 TACR1 (0.51) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL20628 0.88 KDM4E (0.49) ALDH1A1MEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL20971 0.87 KCNQ3 (0.44) CCR1MLYCDTACR1
SCHEMBL29702 0.87 MLYCD (0.43) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL23629 0.87 S1PR3 (0.44) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL3105579 0.87 MLYCD (0.43) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL21850 0.86 MLYCD (0.42) MEN1PLA2G1BCYP1A2CYP3A4GAA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 — — US disclosed
EP-2609083-B1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 — — EP disclosed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 — — US disclosed
US-8653101-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 — — US disclosed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 — — EP disclosed
EP-2609084-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 — — EP disclosed
US-8470852-B2 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-06-25 — — US disclosed
US-8399673-B2 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-03-19 — — US disclosed
WO-2012025237-A9 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-02-14 — — WO disclosed
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators DRUNENTHAL GMBH (DE) 2012-10-04 — — US disclosed
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-08-30 — — US disclosed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2012-03-01 — — US disclosed
WO-2012025237-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 — — WO disclosed
WO-2012025236-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 — — WO disclosed
EP-2406229-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 — — EP disclosed
WO-2010102811-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 — — WO disclosed
US-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 — — 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-20100234372-A1 SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNJ2 ALDH1A1 3187/4885MEN1 1469/4885PLA2G1B 3442/4885
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 ALDH1A1 3218/4885MEN1 3887/4885PLA2G1B 2545/4885
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNJ2 ALDH1A1 3187/4885MEN1 1469/4885PLA2G1B 3442/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 ALDH1A1 3218/4885MEN1 3887/4885PLA2G1B 2545/4885
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 ALDH1A1 3096/4885MEN1 3102/4885PLA2G1B 2057/4885

“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.