SCHEMBL2400544

SCHEMBL2400544

CCc1ccc(-c2n[c]sc2C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2398446 0.88 SMN1; SMN2 (0.30) ALDH1A1MAPT
SCHEMBL2398423 0.85 HSD11B1 (0.35)
SCHEMBL2402522 0.84 S1PR1 (0.33)
SCHEMBL2398650 0.77 SMN1; SMN2 (0.50) ALDH1A1LMNAMAPT
SCHEMBL2399672 0.77
SCHEMBL2399923 0.75 ALDH1A1 (0.31) MEN1ALDH1A1LMNAMAPTMAPK1
SCHEMBL2397843 0.73 RXRA (0.33) RXRARXRBRXRGNOS3NOS1
SCHEMBL17626157 0.72 MPL (0.36) ALDH1A1
SCHEMBL1915935 0.72 TDP1 (0.42) MEN1ALDH1A1LMNAMAPTMAPK1
SCHEMBL1915830 0.70 RAB9A (0.42) MEN1ALDH1A1MAPTKMT2A

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC RXRA 1369/4885RXRB 1180/4885RXRG 1130/4885

“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.