SCHEMBL1909592

SCHEMBL1909592

Cc1csc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.45
RAB9A P51151 1/20 0.43
GRM2 Q14416 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TYMS P04818 1/20 0.40
HDAC1 Q13547 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PHGDH O43175 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL240604 0.86 HDAC1 (0.53) SCDRAB9ATSHRHDAC1L3MBTL1
SCHEMBL13557143 0.85 SCD (0.45) SCDRAB9ATSHRHDAC1L3MBTL1
SCHEMBL1909686 0.84 RAB9A (0.61) SCDRAB9ATSHRALDH1A1HDAC1
SCHEMBL1909503 0.82 SCD (0.55) SCDRAB9AHDAC1L3MBTL1POLB
SCHEMBL242643 0.81 HDAC1 (0.49) SCDRAB9AHDAC1KDM4E
SCHEMBL246011 0.80 SCD (0.62) SCDGRM2TSHRALDH1A1HDAC1
SCHEMBL244590 0.79 SCD (0.50) SCDRAB9AHDAC1L3MBTL1LMNA
SCHEMBL348024 0.79 SCD (0.75) SCDGRM2ALDH1A1TYMSHDAC1
SCHEMBL245153 0.78 SCD (0.60) SCDALDH1A1HDAC1KDM4ELMNA
SCHEMBL245130 0.76 SCD (0.62) SCDHDAC1

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 2 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-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 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 (1 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-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885RAB9A 4305/4885GRM2 2841/4885

“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.