SCHEMBL4715889

SCHEMBL4715889

COC(=O)c1ncc(Cc2ccc(F)cc2)cc1Nc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 5/20 0.39
P2RX3 P56373 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 1/20 0.37
ATM Q13315 1/20 0.37
CSF1R P07333 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
POLB P06746 1/20 0.37
PRKAA2 P54646 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TP53 P04637 1/20 0.37
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
LMNA P02545 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
SCHEMBL5545758 0.94 SAE1 (0.45) MEN1KMT2AMAPTGRM2POLB
SCHEMBL5538820 0.91 CYP1A2 (0.46) MEN1KMT2AMAPK1MAPTP2RX3
SCHEMBL5545753 0.90 LMNA (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5547230 0.89 MAPT (0.41) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL4714781 0.86 P4HTM (0.45) KMT2AMAPK1HTTP4HTMPRKAA2
SCHEMBL5547181 0.85 AKR1C3 (0.45) MEN1KMT2AMAPTGRM2TP53
SCHEMBL5541123 0.82 CYP11B1 (0.42) MEN1KMT2AMAPK1MAPTGRM2
SCHEMBL12378242 0.82 MAPT (0.48) MEN1KMT2AMAPK1MAPTNPC1
SCHEMBL4585367 0.81 MAPT (0.47) MEN1KMT2AMAPK1MAPTL3MBTL1
SCHEMBL4583823 0.81 MAPT (0.38) MEN1KMT2AMAPK1MAPTGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1910356-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019101-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007019101-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-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 MEN1 4822/4885KMT2A 1762/4885MAPK1 2563/4885

“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.