Sugi Predict

Sugi Predict / Compounds / SCHEMBL145333

SCHEMBL145333

SCHEMBL145333

CCC1CC(=O)N(Cc2ccc(NC(=O)c3cccnc3)cc2)N=C1c1ccc(OC)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 5/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4B Q07343 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6361744 0.94 ABCB1 (0.49) SMN1; SMN2RAB9ANPC1ABCB1ABCG2
SCHEMBL143817 0.92 ABCB1 (0.45) SMN1; SMN2RAB9ANPC1ABCB1ABCG2
SCHEMBL147106 0.92 ABCB1 (0.46) SMN1; SMN2RAB9ANPC1ABCB1ABCG2
SCHEMBL6674255 0.91 PDE4B (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL143612 0.91 ABCG2 (0.46) SMN1; SMN2RAB9ANPC1ABCB1ABCG2
SCHEMBL144858 0.90 ABCB1 (0.44) SMN1; SMN2RAB9ANPC1ABCB1ABCG2
SCHEMBL144457 0.90 ABCB1 (0.43) SMN1; SMN2RAB9ANPC1ABCB1ABCG2
SCHEMBL147494 0.90 ABL1 (0.46) SMN1; SMN2RAB9ANPC1ABCB1ABCG2
SCHEMBL140109 0.90 ABL1 (0.46) SMN1; SMN2RAB9ANPC1ABCB1ABCG2
SCHEMBL143413 0.90 ABCG2 (0.45) SMN1; SMN2RAB9ANPC1ABCB1ABCG2

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-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 — — US claimed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 — — US claimed
EP-1368035-A1 USE OF TYPE 4 PHOSPHODIESTERASE INHIBITORS IN MYOCARDIAL DISEASES MERCK PATENT GmbH (DE) 2003-12-10 — — EP claimed
WO-2002072103-A1 USE OF TYPE 4 PHOSPHODIESTERASE INHIBITORS IN MYOCARDIAL DISEASES MERCK PATENT GMBH (DE) 2002-09-19 — — WO claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 — — US disclosed
US-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR VERVA PHARMACEUTICALS PTY LTD (AU) 2012-03-08 — — US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 — — US disclosed
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases MERK PANTENT GMBH (DE) 2005-03-31 — — US disclosed
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof MERCK PATENT GMBH (DE) 2004-12-23 — — US disclosed
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 — — US disclosed
EP-1463509-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GmbH (DE) 2004-10-06 — — EP disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 — — EP disclosed
WO-2003037349-A1 TYPE 4 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2003-05-08 — — WO disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 — — WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 — — EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 — — US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 — — EP 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-20120059047-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR FGF1, FABP4, FGF2 SMN1; SMN2 2144/4885RAB9A 2690/4885NPC1 2593/4885
US-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B SMN1; SMN2 2642/4885RAB9A 2053/4885NPC1 3307/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 SMN1; SMN2 2144/4885RAB9A 2690/4885NPC1 2593/4885
US-20050070529-A1 Use of type 4 phosphodiesterase inhibitors in myocardial diseases PDE4A, PDE4B, PDE12 SMN1; SMN2 3212/4885RAB9A 1923/4885NPC1 3737/4885
US-20040259863-A1 Type 4 phosphodiesterase inhibitors and uses thereof PDE4A, PDE4B, PDE4C SMN1; SMN2 3291/4885RAB9A 2408/4885NPC1 3669/4885

“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.