SCHEMBL1909686

SCHEMBL1909686

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
SCD O00767 8/20 0.61
POLB P06746 2/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HDAC1 Q13547 1/20 0.49
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SCN9A Q15858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.40

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
SCHEMBL1909503 0.88 SCD (0.55) RAB9ASCDPOLBHDAC1L3MBTL1
SCHEMBL243182 0.87 HDAC1 (0.56) RAB9ASCDHDAC1ALDH1A1NPC1
SCHEMBL240604 0.87 HDAC1 (0.53) RAB9ASCDPOLBTSHRKDM4E
SCHEMBL244590 0.85 SCD (0.50) RAB9ASCDLMNAHDAC1L3MBTL1
SCHEMBL13557143 0.84 SCD (0.45) RAB9ASCDPOLBTSHRKDM4E
SCHEMBL1909592 0.84 SCD (0.45) RAB9ASCDPOLBTSHRKDM4E
SCHEMBL242643 0.82 HDAC1 (0.49) RAB9ASCDKDM4EHDAC1
SCHEMBL240793 0.80 RAB9A (0.57) RAB9ASCDKDM4EMAPTHDAC1
SCHEMBL243388 0.78 SCD (0.44) RAB9ASCDHDAC1L3MBTL1
SCHEMBL244363 0.77 SCD (0.66) SCDLMNAHDAC1L3MBTL1SMN1; 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 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 RAB9A 4305/4885SCD 1/4885POLB 2337/4885
US-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 RAB9A 4305/4885SCD 1/4885POLB 2337/4885

“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.