SCHEMBL5540839

SCHEMBL5540839

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(-c2ccc(N3CCOCC3)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.40
HTR3A P46098 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR2 P34972 4/20 0.38
THRB P10828 1/20 0.38
MAPK8 P45983 1/20 0.38
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PIK3CA P42336 1/20 0.37
CNR1 P21554 2/20 0.37
SIK1 P57059 1/20 0.37

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
SCHEMBL5545627 0.92 GRIN2B (0.40) EGLN1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5547361 0.92 EGLN1 (0.41) EGLN1HTR3AHPGDCNR2PIK3CA
SCHEMBL5547276 0.90 CNR2 (0.41) EGLN1HTR3AMAPTKMT2ACYP1A2
SCHEMBL5540728 0.88 HTR3A (0.51) HTR3AHPGDCNR2PIK3CACNR1
SCHEMBL5546501 0.88 EGLN1 (0.41) EGLN1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL5548055 0.85 HPGD (0.46) EGLN1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5546428 0.84 GRIN2B (0.42) KMT2ACNR2PIK3CACNR1
SCHEMBL5547146 0.84 MAPK14 (0.41) EGLN1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6061368 0.84 MEN1 (0.43) HPGDKMT2AMEN1CNR2PIK3CA
SCHEMBL5545788 0.83 HTR3A (0.48) HTR3AALDH1A1HPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US 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-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 EGLN1 3238/4885HTR3A 4155/4885ALDH1A1 3073/4885

“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.