SCHEMBL1909775

SCHEMBL1909775

Cc1cc(-c2sc(N3CCN(Cc4ccc(C(=O)N5CCCCC5)cc4)C3=O)nc2C)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.46
TRPV4 Q9HBA0 1/20 0.38
HRH3 Q9Y5N1 4/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL242213 0.86 SCD (0.46) SCDHRH3MEN1ALDH1A1MAPT
SCHEMBL10272408 0.86 SCD (0.50) SCD
SCHEMBL243192 0.84 SCD (0.59) SCDALDH1A1MAPTRAB9A
SCHEMBL243001 0.84 SCD (0.47) SCDHRH3MEN1ALDH1A1MAPT
SCHEMBL240551 0.81 SCD (0.47) SCDMAPTRAB9A
SCHEMBL245131 0.80 SCD (0.59) SCDHRH3MEN1ALDH1A1MAPT
SCHEMBL1911665 0.79 SCD (0.47) SCDMEN1ALDH1A1KMT2A
SCHEMBL12172142 0.78 SCD (0.47) SCD
SCHEMBL348021 0.76 SCD (0.45) SCDHTTSMN1; SMN2
SCHEMBL348517 0.74 SCD (0.47) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 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 (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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885TRPV4 821/4885HRH3 2170/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885TRPV4 547/4885HRH3 4271/4885

“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.