Sugi Predict

Sugi Predict / Compounds / SCHEMBL22806

SCHEMBL22806

SCHEMBL22806

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.42
▸ C1R P00736 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ CASP1 P29466 1/20 0.36

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
Hydrochloric Acid SCHEMBL22807 0.88 DHODH (0.49) DHODHC1RKDM4EHTTSMN1; SMN2
SCHEMBL19871 0.84 KDM4E (0.46) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL20784 0.77 DHODH (0.51) DHODHKDM4EDYRK1A
SCHEMBL282141 0.76 C1R (0.41) DHODHC1RKDM4EHTTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL3496901 0.76 CTSD (0.40) C1RMEN1KMT2AKDM4EHTT
SCHEMBL27920969 0.76 DHODH (0.42) DHODHKMT2AKDM4EDYRK1APARP1
SCHEMBL22408 0.75 ALDH1A1 (0.46) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL11373329 0.75 DHODH (0.43) DHODHC1RMEN1KMT2AKDM4E
SCHEMBL1723131 0.74 PDE5A (0.39) MEN1KMT2AKDM4ECYP1A2CYP2C9
SCHEMBL28795013 0.74 C1R (0.37) DHODHC1RMEN1KMT2AKDM4E

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 18 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-2609084-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 — — EP disclosed
EP-2609083-A1 SUBSTITUTED 2-OXY-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
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
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2012-03-01 — — US disclosed
CN-102348692-A Substituted 2-mercaptoquinoline-3-carboxamides as kcnq2/3 modulators GRUENENTHAL GMBH 2012-02-08 — — CN 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 DHODH 3196/4885C1R 4851/4885MEN1 1469/4885
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 2566/4885C1R 4791/4885MEN1 3887/4885
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNJ2 DHODH 3196/4885C1R 4851/4885MEN1 1469/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 2566/4885C1R 4791/4885MEN1 3887/4885
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 3509/4885C1R 4786/4885MEN1 3102/4885

“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.