SCHEMBL2398613

SCHEMBL2398613

CCCCc1ccc(-c2n[c]sc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
RARB P10826 7/20 0.47
NISCH Q9Y2I1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
RARA P10276 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 2/20 0.40
CTRC Q99895 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
UCHL3 P15374 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL2400256 0.90 PDE10A (0.41) HSD11B1RARBNISCHALDH1A1MAPT
SCHEMBL2398650 0.83 SMN1; SMN2 (0.50) RARBNISCHALDH1A1MAPTRARA
SCHEMBL2398423 0.80 HSD11B1 (0.35) HSD11B1RARB
SCHEMBL17628675 0.79 SMN1; SMN2 (0.35) RARBRARASMN1; SMN2
SCHEMBL1915935 0.76 TDP1 (0.42) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL1914807 0.74 RAB9A (0.45) HSD11B1RARBNISCHALDH1A1MAPT
SCHEMBL331177 0.74 RARA (0.40) RARBALDH1A1MAPTMEN1RARA
SCHEMBL17626024 0.73 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL17625973 0.73 KDM4E (0.40) HSD11B1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL17626018 0.73 ALDH1A1 (0.37) RARBALDH1A1MAPTMEN1RARA

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 6 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
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO 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 HSD11B1 37/4885RARB 3045/4885NISCH 591/4885

“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.