SCHEMBL4591362

SCHEMBL4591362

CN(C)Cc1cc(F)ccc1Cc1cnc2c(O)c(C(=O)O)c(=O)n(C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GRIN2B Q13224 4/20 0.33
HIF1A Q16665 6/20 0.33
ALDH1A1 P00352 2/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
TACR1 P25103 2/20 0.32
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL4576778 0.92 TACR1 (0.33) MEN1KMT2AGRIN2BHIF1ATACR1
SCHEMBL4576606 0.90 MEN1 (0.37) MEN1KMT2AGRIN2BHIF1AALDH1A1
SCHEMBL4590901 0.90 MEN1 (0.32) MEN1KMT2AGRIN2BHIF1AALDH1A1
SCHEMBL4576192 0.90 GRIN2B (0.38) GRIN2B
SCHEMBL5545343 0.89 MEN1 (0.36) MEN1KMT2AGRIN2BHIF1AALDH1A1
SCHEMBL4894901 0.88 KDM4E (0.42) MEN1KMT2AALDH1A1HTR2CMAPT
SCHEMBL4576187 0.88 GRIN2B (0.36) GRIN2BHIF1A
SCHEMBL4591622 0.88 HIF1A (0.34) MEN1KMT2AHIF1AALDH1A1MAPT
SCHEMBL4575647 0.87 GRIN2B (0.34) MEN1KMT2AGRIN2BHIF1ATACR1
SCHEMBL4906366 0.87 KDM4E (0.44) MEN1KMT2AHIF1AKDM4E

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 MEN1 4841/4885KMT2A 682/4885GRIN2B 4068/4885

“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.