SCHEMBL2290893

SCHEMBL2290893

CC(C)CCNC(=O)c1cnc(N2CC3=C(CNC3)C2)s1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.53
LMNA P02545 1/20 0.43
SNCA P37840 4/20 0.41
OGA O60502 4/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL2299341 0.86 NAMPT (0.54) NAMPTLMNASNCAOGAHDAC3
SCHEMBL3408629 0.83 NAMPT (0.38) NAMPTLMNASNCA
SCHEMBL8098134 0.81 NAMPT (0.49) NAMPTLMNASNCAOGAHDAC3
SCHEMBL2290030 0.80 HDAC3 (0.46) NAMPTSNCAHDAC3HDAC4HDAC1
SCHEMBL3407350 0.79 NAMPT (0.46) NAMPTLMNASNCAOGAHDAC3
SCHEMBL2297912 0.79 NAMPT (0.58) NAMPTSNCAHDAC3HDAC4HDAC1
SCHEMBL2290239 0.78 HDAC2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2295200 0.78 NAMPT (0.51) NAMPTLMNASNCAOGAMEN1
SCHEMBL2295632 0.76 SCD (0.58) NAMPT
SCHEMBL2290881 0.74 HPGD (0.55) NAMPTLMNAOGAHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-8003677-B2 2-heteroaryl-pyrrolo[3,4-c]pyrrole derivatives and their use as SCD inhibitors SANOFI-AVENTIS (FR) 2011-08-23 US disclosed
US-8003677-B2 2-heteroaryl-pyrrolo[3,4-c]pyrrole derivatives and their use as SCD inhibitors SANOFI-AVENTIS (FR) 2011-08-23 US disclosed
US-8003677-B2 2-heteroaryl-pyrrolo[3,4-c]pyrrole derivatives and their use as SCD inhibitors SANOFI-AVENTIS (FR) 2011-08-23 US disclosed
US-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
US-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
US-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
WO-2008135141-A1 2 -HETEROARYL- PYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2008-11-13 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 (2 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-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SCD, SCD5, PYCR1 NAMPT 1406/4885LMNA 367/4885SNCA 1296/4885
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SCD, SCD5, PYCR1 NAMPT 1694/4885LMNA 506/4885SNCA 962/4885

“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.