SCHEMBL2299343

SCHEMBL2299343

O=C(NCCc1ccccc1)c1ccc(N2CC3=C(CN(C(=O)c4ccccc4C(F)(F)F)C3)C2)nc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.81
DCTPP1 Q9H773 2/20 0.59
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NAMPT P43490 1/20 0.44

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
SCHEMBL3673233 0.89 SCD (1.00) SCDDCTPP1NPC1RAB9ASMN1; SMN2
SCHEMBL2299671 0.88 SCD (0.62) SCDDCTPP1
SCHEMBL8083811 0.87 SCD (0.63) SCDDCTPP1
SCHEMBL2293937 0.87 SCD (0.81) SCDDCTPP1NAMPT
SCHEMBL2294056 0.86 SCD (0.61) SCDDCTPP1
SCHEMBL2295558 0.85 SCD (0.59) SCDDCTPP1
SCHEMBL3676272 0.84 SCD (0.90) SCDDCTPP1NPC1RAB9ASMN1; SMN2
SCHEMBL2296174 0.84 SCD (0.55) SCDDCTPP1
SCHEMBL2299489 0.83 SCD (0.57) SCDDCTPP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3676259 0.83 SCD (0.88) SCDDCTPP1NPC1RAB9ASMN1; SMN2

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 9 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 claimed
US-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-06-10 US claimed
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-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 SCD 1/4885DCTPP1 929/4885NPC1 108/4885
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SCD, SCD5, PYCR1 SCD 1/4885DCTPP1 1151/4885NPC1 175/4885

“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.