SCHEMBL2398650

SCHEMBL2398650

CCc1ccc(-c2n[c]sc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 4/20 0.36
TP53 P04637 3/20 0.35
METAP2 P50579 1/20 0.35
NPC1 O15118 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33
CA9 Q16790 1/20 0.33
GLA P06280 1/20 0.33

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 0.86 PDE10A (0.41) SMN1; SMN2NISCHALDH1A1RAB9ATP53
SCHEMBL17628675 0.84 SMN1; SMN2 (0.35) SMN1; SMN2RARARARBRARG
SCHEMBL2398613 0.83 HSD11B1 (0.51) SMN1; SMN2NISCHALDH1A1RAB9ATP53
SCHEMBL2397874 0.81 MAPT (0.38) SMN1; SMN2ALDH1A1POLBGAALMNA
SCHEMBL1915935 0.81 TDP1 (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1POLB
SCHEMBL331177 0.79 RARA (0.40) SMN1; SMN2ALDH1A1RAB9ATP53POLB
SCHEMBL17626024 0.78 MEN1 (0.47) SMN1; SMN2ALDH1A1RAB9ATP53NPC1
SCHEMBL17626168 0.78 ALDH1A1 (0.38) ALDH1A1GAA
SCHEMBL17625973 0.78 KDM4E (0.40) SMN1; SMN2PTGDR2ALDH1A1RAB9ANPC1
SCHEMBL2400544 0.77 RXRA (0.33) ALDH1A1LMNAMAPT

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 SMN1; SMN2 3353/4885PTGDR2 1368/4885NISCH 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.