SCHEMBL5670852

SCHEMBL5670852

CC1Oc2ccc(Cl)cc2NC1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.60
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SMYD3 Q9H7B4 2/20 0.47
KDR P35968 1/20 0.47
ALDH1A1 P00352 1/20 0.42
TSHR P16473 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
SCHEMBL19030542 0.87 PARP1 (0.60) PARP1PDE3BPDE3APOLBKDR
SCHEMBL27126761 0.87 PARP1 (0.60) PARP1PDE3BPDE3APOLBKDR
SCHEMBL5670717 0.81 PARP1 (0.62) PARP1PDE3BPDE3AHSD17B10SMYD3
SCHEMBL10130365 0.81 PARP1 (0.62) PARP1PDE3BPDE3AHSD17B10SMYD3
SCHEMBL10130302 0.81 PARP1 (0.62) PARP1PDE3BPDE3AHSD17B10SMYD3
SCHEMBL6999731 0.81 PARP1 (0.80) PARP1PDE3BPDE3AHSD17B10TP53
SCHEMBL2917545 0.80 PARP1 (0.60) PARP1PDE3BPDE3ASMYD3
SCHEMBL496236 0.80 PARP1 (0.60) PARP1PDE3BPDE3ASMYD3
SCHEMBL3641602 0.80 PARP1 (0.60) PARP1PDE3BPDE3ASMYD3KDR
SCHEMBL292432 0.80 PARP1 (0.60) PARP1PDE3BPDE3ASMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
EP-0980362-B1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AG (DE) 2006-08-16 EP disclosed
US-6191127-B1 ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0980362-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-23 EP disclosed
WO-1998050372-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-12 WO disclosed
US-3935203-A ANALGESICS, ANTI-OEDEMATOUS CERPHA (FR) 1976-01-27 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 (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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 PARP1 326/4885PDE3B 605/4885PDE3A 767/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 PARP1 326/4885PDE3B 605/4885PDE3A 767/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 326/4885PDE3B 605/4885PDE3A 767/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PARP1 326/4885PDE3B 605/4885PDE3A 767/4885

“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.