SCHEMBL13850950

SCHEMBL13850950

COC(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HPGD P15428 1/20 0.44
PLA2G2A P14555 2/20 0.41
MAPT P10636 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
EGLN2 Q96KS0 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
RNASEH1 O60930 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
SCHEMBL13850901 0.91 MAPT (0.41) LMNAMAPTKMT2AKDM5AKDM5B
SCHEMBL13850959 0.90 MAOB (0.41) LMNAMAPTL3MBTL1EGLN2KMT2A
SCHEMBL13850941 0.90 NR4A2 (0.41) LMNAMAPTL3MBTL1KMT2AMAPK1
SCHEMBL13850946 0.87 KDM4E (0.36) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL13850952 0.87 KMT2A (0.42) LMNAMAPTL3MBTL1EGLN2KMT2A
SCHEMBL13850893 0.87 LMNA (0.46) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL14193489 0.86 EGLN2 (0.41) LMNAMAPTTP53L3MBTL1EGLN2
SCHEMBL1593357 0.85 LMNA (0.44) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL1593427 0.85 LMNA (0.44) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL12703877 0.85 PLA2G2A (0.46) LMNAHPGDPLA2G2AMAPTTDP1

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 5 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
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

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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 LMNA 1842/4885HPGD 3035/4885PLA2G2A 4460/4885

“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.