SCHEMBL1909503

SCHEMBL1909503

Cc1csc(N2CCN(Cc3ccccc3)C2=O)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
HDAC1 Q13547 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ROCK2 O75116 1/20 0.46
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.44
SCN9A Q15858 1/20 0.44
RAB9A P51151 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
SCHEMBL1909686 0.88 RAB9A (0.61) SCDSMN1; SMN2HDAC1L3MBTL1POLB
SCHEMBL1909621 0.88 HDAC1 (0.49) SCDSMN1; SMN2HDAC1L3MBTL1SCN9A
SCHEMBL244590 0.87 SCD (0.50) SCDHDAC1L3MBTL1RAB9A
SCHEMBL244363 0.86 SCD (0.66) SCDSMN1; SMN2HDAC1L3MBTL1KMT2A
SCHEMBL240604 0.84 HDAC1 (0.53) SCDSMN1; SMN2HDAC1L3MBTL1POLB
SCHEMBL242643 0.82 HDAC1 (0.49) SCDHDAC1RAB9A
SCHEMBL1909592 0.82 SCD (0.45) SCDSMN1; SMN2HDAC1L3MBTL1POLB
SCHEMBL13557143 0.82 SCD (0.45) SCDSMN1; SMN2HDAC1L3MBTL1POLB
SCHEMBL1909601 0.81 NPC1 (0.58) SMN1; SMN2L3MBTL1ROCK2KMT2ARAB9A
SCHEMBL30788554 0.79 MAOB (0.46) SCDSMN1; SMN2L3MBTL1KMT2ATAS2R8

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 3 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-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 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 (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-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885SMN1; SMN2 3581/4885HDAC1 136/4885
US-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885SMN1; SMN2 3581/4885HDAC1 136/4885

“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.