SCHEMBL4832808

SCHEMBL4832808

O=C(NCc1ccccc1N1CCC1=O)c1nc2n(c(=O)c1O)CCOC21CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SCN2A Q99250 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
USP2 O75604 1/20 0.32
ADORA2A P29274 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4830903 0.89 LIPG (0.38) LIPGAPOBEC3AAPOBEC3GSCN2ASCN10A
SCHEMBL4830981 0.89 CYP2C9 (0.37) LIPGLMNAUSP2KCNH2CYP2C9
SCHEMBL5013852 0.88 LIPG (0.38) LIPGAPOBEC3AAPOBEC3GSCN2ASCN10A
SCHEMBL3836454 0.84 CALCA (0.44) LIPGSCN2ASCN10ACYP3A4CYP2C19
SCHEMBL3836688 0.84 NPC1 (0.40) TP53LMNAADORA2AKCNH2CYP2C9
SCHEMBL3844219 0.83 LIPG (0.41) LIPGSCN2ASCN10ALMNACYP3A4
SCHEMBL3844221 0.83 CALCA (0.44) LIPGSCN2ASCN10ACYP3A4CYP2C19
SCHEMBL3836949 0.83 F2 (0.39) LIPGSCN2ASCN10ACACNA1GCACNA1H
SCHEMBL14072860 0.82 LIPG (0.39) LIPGSCN2ASCN10ATP53LMNA
SCHEMBL3838401 0.81 CALCA (0.44) TP53LMNACYP2C19KCNH2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US claimed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 US claimed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 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-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 LIPG 4685/4885APOBEC3A 22/4885APOBEC3G 23/4885

“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.