SCHEMBL98538

SCHEMBL98538

O=C1CCc2c(C3OCCO3)cccc2N1Cc1cccc(CN2CCCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.40
▸ POLB P06746 2/20 0.33
▸ CDK5 Q00535 3/20 0.32
▸ CDK5R1 Q15078 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HCRTR1 O43613 2/20 0.31
▸ HCRTR2 O43614 2/20 0.31

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
SCHEMBL96345 0.86 POLB (0.35) CXCR4POLB
SCHEMBL97439 0.75 POLB (0.42) POLBALDH1A1
SCHEMBL98519 0.71 CHRM1 (0.37) —
SCHEMBL97445 0.71 POLB (0.43) POLBALDH1A1
SCHEMBL18157904 0.69 CXCR4 (0.66) CXCR4POLBKDM4EALDH1A1HPGD
SCHEMBL97869 0.68 POLB (0.40) POLBALDH1A1
SCHEMBL95996 0.67 PIM1 (0.40) —
Hydrochloric Acid SCHEMBL29604003 0.67 CXCR4 (0.63) CXCR4POLBKDM4EALDH1A1HPGD
Bromide SCHEMBL29605492 0.67 CXCR4 (0.63) CXCR4POLBKDM4EALDH1A1HPGD
SCHEMBL20609083 0.67 CXCR4 (0.68) CXCR4POLBKDM4EALDH1A1HPGD

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 8 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-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 (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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CXCR4 464/4885POLB 4329/4885CDK5 4072/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CXCR4 464/4885POLB 4329/4885CDK5 4072/4885

“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.

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