SCHEMBL5536094

SCHEMBL5536094

CN1C(=O)Cn2c1nc(C(=O)NCc1ccc(Cl)c(Cl)c1)c(O)c2=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.45
CNR1 P21554 9/20 0.44
CNR2 P34972 8/20 0.44
HPGD P15428 1/20 0.42
LIPG Q9Y5X9 3/20 0.42
TSHR P16473 1/20 0.42
P2RX7 Q99572 1/20 0.41
LIPC P11150 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5539660 0.91 KCNH2 (0.42) WDR5CNR2
SCHEMBL5650530 0.91 CNR1 (0.43) WDR5CNR1CNR2HPGDLIPG
SCHEMBL5536029 0.90 CNR1 (0.45) WDR5CNR1CNR2HPGDLIPG
SCHEMBL5538434 0.87 KCNH2 (0.40) WDR5ALDH1A1KMT2A
SCHEMBL5537855 0.85 KCNH2 (0.54) LIPGMEN1KMT2A
SCHEMBL5547436 0.84 MMP13 (0.47) WDR5
SCHEMBL5531062 0.83 CNR1 (0.42) CNR1CNR2HPGDLIPGTSHR
SCHEMBL5540973 0.83 KCNH2 (0.40) CNR1CNR2
SCHEMBL5534536 0.82 KCNH2 (0.42) WDR5CNR1CNR2
SCHEMBL5539137 0.79 GAA (0.48) CNR1CNR2HPGDTSHRMEN1

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
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP claimed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO claimed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C WDR5 1755/4885CNR1 2406/4885CNR2 3283/4885

“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.