SCHEMBL4964809

SCHEMBL4964809

CC#Cc1c(C(=O)OC)ncc2c1ccn2Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAOB P27338 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
GAA P10253 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAPT P10636 5/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 4/20 0.36
TP53 P04637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL4966198 0.91 MAOB (0.39) KDM4EL3MBTL1MAOBHSP90AA1HSP90B1
SCHEMBL4972045 0.88 HDAC6 (0.46) MAOBHDAC3HDAC1HDAC2HDAC8
SCHEMBL3495261 0.84 L3MBTL1 (0.45) KDM4EL3MBTL1MAOBHSP90AA1HSP90B1
SCHEMBL14533492 0.84 L3MBTL1 (0.44) KDM4EL3MBTL1MAOBHSP90AA1HSP90B1
SCHEMBL4802034 0.83 L3MBTL1 (0.43) KDM4EL3MBTL1MAOBHSP90AA1HSP90B1
SCHEMBL14533491 0.82 L3MBTL1 (0.43) KDM4EL3MBTL1MAOBHSP90AA1HSP90B1
SCHEMBL3493411 0.81 MAPT (0.39) KDM4EL3MBTL1MAOBGAAMAPT
SCHEMBL4805529 0.80 NPC1 (0.41) KDM4EL3MBTL1MAOBGAAMAPT
SCHEMBL3495381 0.80 L3MBTL1 (0.40) KDM4EL3MBTL1MAOBHSP90AA1HSP90B1
SCHEMBL4962821 0.79 L3MBTL1 (0.39) KDM4EL3MBTL1HSP90AA1HSP90B1GAA

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
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 WO disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP KDM4E 821/4885L3MBTL1 1389/4885MAOB 979/4885

“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.