SCHEMBL5532693

SCHEMBL5532693

CNC(=O)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CC(=O)N2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.39
CYP2C9 P11712 1/20 0.38
P2RX7 Q99572 3/20 0.38
LMNA P02545 1/20 0.37
CALCA P06881 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRD4 O60885 2/20 0.36
SCD O00767 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36

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
SCHEMBL4399670 0.86 SCD (0.43) EGLN1CYP2C9LMNACALCAKCNH2
SCHEMBL5537848 0.85 CYP2C9 (0.41) CYP2C9P2RX7KCNH2
SCHEMBL5538731 0.85 KCNH2 (0.46) EGLN1CYP2C9LMNAKCNH2SCD
SCHEMBL5534072 0.81 MMP13 (0.42) EGLN1CYP2C9CALCAKCNH2SCD
SCHEMBL4397947 0.81 CYP2C9 (0.39) CYP2C9P2RX7CALCAKCNH2SCD
SCHEMBL4396394 0.79 CYP2C9 (0.42) CYP2C9P2RX7CALCAKCNH2
SCHEMBL5643962 0.79 MAPT (0.37) P2RX7LMNA
SCHEMBL5542241 0.79 CYP2C9 (0.42) CYP2C9P2RX7KCNH2
SCHEMBL4393763 0.77 CYP2C9 (0.40) CYP2C9KCNH2
SCHEMBL5532945 0.77 GAA (0.48) CYP2C9LMNAKCNH2

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-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
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP disclosed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO 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 EGLN1 768/4885CYP2C9 237/4885P2RX7 2213/4885

“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.