SCHEMBL4965274

SCHEMBL4965274

COC(=O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1CCCNO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAOB P27338 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 4/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14533491 0.86 L3MBTL1 (0.43) HSP90AA1HSP90B1L3MBTL1GAACYP11B1
SCHEMBL14533492 0.84 L3MBTL1 (0.44) HSP90AA1HSP90B1L3MBTL1GAACYP11B1
SCHEMBL3496747 0.82 CYP11B1 (0.42) HSP90AA1HSP90B1L3MBTL1GAACYP11B1
SCHEMBL3495261 0.81 L3MBTL1 (0.45) HSP90AA1HSP90B1L3MBTL1GAACYP11B1
SCHEMBL4802034 0.81 L3MBTL1 (0.43) HSP90AA1HSP90B1L3MBTL1GAACYP11B1
SCHEMBL4807256 0.79 HDAC1 (0.44) CYP11B1CYP11B2MAOBCNR1CNR2
SCHEMBL4967424 0.79 HSP90AA1 (0.35) HSP90AA1HSP90B1L3MBTL1GAACYP11B1
SCHEMBL4805573 0.79 NPC1 (0.42) L3MBTL1GAAMAOBKDM4EMAPT
SCHEMBL14541609 0.79 POLB (0.41) HSP90AA1HSP90B1L3MBTL1GAACYP11B1
SCHEMBL4962110 0.78 MAOB (0.38) HSP90AA1HSP90B1L3MBTL1GAACYP11B1

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
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
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 HSP90AA1 3620/4885HSP90B1 2311/4885L3MBTL1 1389/4885

“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.