SCHEMBL97550

SCHEMBL97550

O=CCCCCCc1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GLS O94925 1/20 0.33
HIF1A Q16665 1/20 0.33
ERN1 O75460 1/20 0.33
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
GAA P10253 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
HTT P42858 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL2556155 0.84 TAAR1 (0.41) DAOTAAR1SMN1; SMN2MEN1KMT2A
SCHEMBL28201560 0.75 TAAR1 (0.45) DAOTAAR1SMN1; SMN2MEN1KMT2A
SCHEMBL18378627 0.75 TAAR1 (0.41) DAOTAAR1SMN1; SMN2GLSGAA
SCHEMBL97742 0.74 SCN8A (0.37) TSHRSMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL23789712 0.74 MEN1 (0.51) TSHRSMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL18006940 0.74 TAAR1 (0.39) DAOTAAR1TSHRSMN1; SMN2MEN1
SCHEMBL97549 0.73 DAO (0.37) DAOTAAR1SMN1; SMN2MEN1KMT2A
SCHEMBL18243095 0.73 TAAR1 (0.42) DAOTAAR1SMN1; SMN2GLSGAA
SCHEMBL26976692 0.73 HIF1A (0.41) TSHRHIF1AFAAHTRPV1
SCHEMBL97017 0.72 HIF1A (0.36) TAAR1TSHRHIF1AERN1TRPV1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB DAO 2752/4885TAAR1 3793/4885TSHR 3439/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 DAO 2277/4885TAAR1 2154/4885TSHR 110/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 DAO 2277/4885TAAR1 2154/4885TSHR 110/4885

“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.