SCHEMBL3274518

SCHEMBL3274518

N#Cc1cc(-c2ccc(Cl)cc2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.51
ALDH1A1 P00352 11/20 0.49
KDM4E B2RXH2 9/20 0.49
GAA P10253 4/20 0.49
TDP1 Q9NUW8 3/20 0.45
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
HPGD P15428 6/20 0.42
CYP3A4 P08684 5/20 0.42
MAPT P10636 2/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX12 P18054 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
PRKACA P17612 4/20 0.42
PRKACG P22612 4/20 0.42
PRKACB P22694 4/20 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
SCHEMBL5072719 0.88 TDP1 (0.48) ALDH1A1KDM4EGAATDP1CYP1A2
SCHEMBL31037588 0.84 CYP3A4 (0.46) MCL1ALDH1A1KDM4ETDP1CYP1A2
SCHEMBL4168666 0.84 KDM4E (0.55) ALDH1A1KDM4EGAAHPGDPRKACA
SCHEMBL164458 0.84 TSHR (0.52) ALDH1A1KDM4EGAATDP1CYP1A2
SCHEMBL29462390 0.84 TSHR (0.52) ALDH1A1KDM4EGAATDP1CYP1A2
SCHEMBL5302056 0.82 MCL1 (0.50) MCL1ALDH1A1KDM4EGAATDP1
SCHEMBL4182780 0.82 KDM4E (0.54) ALDH1A1KDM4EGAAHPGDPRKACA
SCHEMBL3574934 0.81 CYP11B1 (0.50) ALDH1A1KDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL3583094 0.81 AR (0.53) ALDH1A1KDM4ETDP1CYP1A2HPGD
SCHEMBL5302293 0.79 AAK1 (0.53) CYP3A4MAPTPRKACAPRKACGPRKACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155700-B1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH AS (DK) 2010-10-06 EP disclosed
US-20100144809-A1 NOVEL BENZAMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S (DK) 2010-06-10 US disclosed
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 US disclosed
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 US disclosed
WO-2008135447-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO disclosed
EP-1638948-B1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2008-10-15 EP disclosed
WO-2008074755-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-06-26 WO disclosed
WO-2008074755-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-06-26 WO disclosed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
EP-1827411-A2 DIPHENYLUREA DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2007-09-05 EP disclosed
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers NEUSEARCH A/S (DK) 2006-08-10 US disclosed
WO-2006064015-A2 DIPHENYLUREA DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2006-06-22 WO disclosed
EP-1638948-A1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2006-03-29 EP disclosed
WO-2004111017-A1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-12-23 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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 MCL1 1786/4885ALDH1A1 418/4885KDM4E 604/4885
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS KCNAB1, KCNJ2, KCNN3 MCL1 3603/4885ALDH1A1 3067/4885KDM4E 867/4885
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS TRPV1, TRPA1, TRPM8 MCL1 4134/4885ALDH1A1 1865/4885KDM4E 2144/4885
US-20100144809-A1 NOVEL BENZAMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNB2, KCNN1, KCNB1 MCL1 1917/4885ALDH1A1 1776/4885KDM4E 1330/4885
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ1, KCNN2 MCL1 2918/4885ALDH1A1 1272/4885KDM4E 1559/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 MCL1 1144/4885ALDH1A1 1167/4885KDM4E 2482/4885

“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.