SCHEMBL3568486

SCHEMBL3568486

CC(C)(C)OC(=O)Nc1cc2ccccc2cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
KDM4A O75164 1/20 0.43
BRD9 Q9H8M2 1/20 0.42
KAT6A Q92794 1/20 0.41
AAK1 Q2M2I8 4/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 2/20 0.41
IDO1 P14902 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL358779 0.83 RXFP1 (0.44) RXFP1KDM4ABRD9KAT6ALMNA
SCHEMBL30048786 0.82 RXFP1 (0.43) RXFP1KDM4ABRD9KAT6ALMNA
SCHEMBL29353000 0.81 HDAC1 (0.52) RXFP1BRD9LMNAPOLBHDAC1
SCHEMBL211033 0.81 HDAC1 (0.52) RXFP1BRD9LMNAPOLBHDAC1
SCHEMBL5194657 0.81 PTPN1 (0.59) RXFP1KDM4ABRD9KAT6AIDO1
SCHEMBL4212736 0.80 CA12 (0.41) RXFP1BRD9AAK1
SCHEMBL28734163 0.79 KDM4E (0.48) RXFP1KDM4AMEN1NPC1GAA
SCHEMBL29679253 0.79 KDM4E (0.48) RXFP1KDM4AMEN1NPC1GAA
SCHEMBL3790650 0.78 HDAC2 (0.65) HDAC1HDAC3HDAC2
SCHEMBL5868802 0.78 ABCB1 (0.54) BRD9AAK1HDAC1CNR2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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 (4 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 RXFP1 2591/4885KDM4A 2510/4885BRD9 2697/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 RXFP1 2591/4885KDM4A 2510/4885BRD9 2697/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R RXFP1 99/4885KDM4A 2922/4885BRD9 664/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 RXFP1 2591/4885KDM4A 2510/4885BRD9 2697/4885

“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.