SCHEMBL4590144

SCHEMBL4590144

Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3CN3CCOCC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 7/20 0.38
MCHR1 Q99705 2/20 0.38
HTR2C P28335 1/20 0.38
NPC1 O15118 1/20 0.38
CNR1 P21554 3/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
NTRK1 P04629 1/20 0.36
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
XIAP P98170 1/20 0.35
DHODH Q02127 1/20 0.35
PIK3CA P42336 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL4906157 0.90 ALDH1A1 (0.39) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4907817 0.88 CNR2 (0.40) KDM4EHPGDCNR2MCHR1HTR2C
SCHEMBL4576555 0.87 DRD1 (0.43) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4906678 0.87 KMT2A (0.42) HPGDCNR2MCHR1HTR2CCNR1
SCHEMBL4575789 0.86 NTRK1 (0.39) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4576606 0.85 MEN1 (0.37) HSD17B10KDM4EALDH1A1HPGDNPC1
SCHEMBL5545343 0.84 MEN1 (0.36) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4591362 0.83 MEN1 (0.34) KDM4EALDH1A1HPGDMCHR1HTR2C
SCHEMBL4896125 0.83 ALDH1A1 (0.39) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4591622 0.83 HIF1A (0.34) ALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP claimed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO claimed
EP-1910363-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019098-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 HSD17B10 1359/4885KDM4E 1139/4885ALDH1A1 2874/4885

“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.