SCHEMBL904586

SCHEMBL904586

CCn1cc2cc(CO)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.46
HSD17B10 Q99714 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
MAT2A P31153 1/20 0.36
RPS6KA5 O75582 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 2/20 0.35
NOTUM Q6P988 1/20 0.34
ILK Q13418 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MLLT1 Q03111 1/20 0.33
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MET P08581 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
SCHEMBL3436681 0.87 NOTUM (0.42) SLC5A2HSD17B10RPS6KA5APPNOTUM
SCHEMBL16152983 0.86 SLC5A2 (0.42) SLC5A2HDAC6MAT2AHTTSMN1; SMN2
SCHEMBL904601 0.83 SLC5A2 (0.41) SLC5A2HDAC6MAT2AHTTSMN1; SMN2
SCHEMBL15687365 0.82 ALDH1A1 (0.36) SLC5A2HSD17B10HDAC6HTTALDH1A1
SCHEMBL15687224 0.80 HDAC6 (0.45) HDAC6SMN1; SMN2ALDH1A1MET
SCHEMBL3436381 0.79 KDM4E (0.49) SLC5A2HSD17B10MAT2AAPPNOTUM
SCHEMBL24930547 0.77 CYP1A2 (0.41) SLC5A2HTTSMN1; SMN2NOTUMALDH1A1
SCHEMBL21191965 0.76 NPC1 (0.40) SLC5A2MAT2ARPS6KA5HTTNOTUM
SCHEMBL23022320 0.76 HSD17B10 (0.37) HSD17B10HDAC6RPS6KA5APP
SCHEMBL188317 0.76 KDM4E (0.43) SLC5A2HSD17B10MAT2AHTTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-8829026-B2 Sulfamoyl benzoic acid heterobicyclic derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2014-09-09 US disclosed
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2013-08-15 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
WO-2012042915-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-05 WO disclosed
WO-2012002527-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR あすか製薬株式会社 (JP) 2012-01-05 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 (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-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI SLC5A2 3387/4885HSD17B10 2262/4885HDAC6 271/4885
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM6, TRPM5 SLC5A2 235/4885HSD17B10 2904/4885HDAC6 682/4885

“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.