SCHEMBL3872057

SCHEMBL3872057

COC(=O)c1cc(Br)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLA2G2A P14555 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL13850773 0.90 NR4A2 (0.39) MAPTLMNANPSR1SMN1; SMN2L3MBTL1
SCHEMBL13850815 0.90 MAPT (0.43) MAPTLMNAHPGDTP53FFAR4
SCHEMBL13850761 0.90 MAPT (0.43) MAPTLMNAHPGDTP53FFAR4
SCHEMBL13850850 0.89 MAPT (0.42) MAPTLMNAHPGDFFAR4PLA2G2A
SCHEMBL13850867 0.89 MAPT (0.42) MAPTLMNAHPGDTP53FFAR4
SCHEMBL13255596 0.88 MAPT (0.42) MAPTHPGDFFAR4NPSR1PLA2G2A
SCHEMBL13850816 0.88 MAPT (0.42) MAPTLMNAHPGDTP53FFAR4
SCHEMBL13850787 0.88 MAPT (0.42) MAPTLMNAHPGDTP53FFAR4
SCHEMBL13850786 0.88 MAPT (0.44) MAPTLMNAHPGDTP53FFAR4
SCHEMBL13850849 0.88 MAPT (0.42) MAPTLMNAHPGDTP53FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-1541558-B1 HETEROCYCLIC COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2008-08-13 EP disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2006-11-02 US disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 US disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 EP 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 (3 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885LMNA 1842/4885HPGD 3035/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4304/4885LMNA 1806/4885HPGD 3078/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885LMNA 1842/4885HPGD 3035/4885

“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.