SCHEMBL1916623

SCHEMBL1916623

Clc1ccc(Cl)c(-c2csc(NCCOCc3ccccc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.58
PKM P14618 1/20 0.49
CCNK O75909 1/20 0.43
CDK9 P50750 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 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
SCHEMBL1914499 0.89 ATP4A (0.51) RORCCCNKCDK9KDM4EHTT
SCHEMBL1916147 0.82 ATP4A (0.49) RORCCCNKCDK9KDM4EHTT
SCHEMBL1915108 0.80 KDM4E (0.45) KDM4EHTTGAAALDH1A1MAPT
SCHEMBL1914539 0.72 ALDH1A1 (0.60) CCNKCDK9KDM4EHTTALDH1A1
SCHEMBL39270 0.72 NPC1 (0.67) RORCPKMKDM4EGAAALDH1A1
SCHEMBL1915546 0.72 FFAR2 (0.43) PKMCCNKCDK9KDM4EHTT
SCHEMBL14814817 0.70 PKM (0.61) RORCPKMKDM4EALDH1A1MAPT
SCHEMBL1916174 0.70 PKM (0.65) RORCPKMMAPTRAB9ANPC1
SCHEMBL9335414 0.70 TSHR (0.45) HTTGAAALDH1A1MAPTRAB9A
SCHEMBL1915382 0.70 ALDH1A1 (0.58) RORCPKMCCNKCDK9KDM4E

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 4 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 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-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO 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 RORC 792/4885PKM 113/4885CCNK 3970/4885

“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.