SCHEMBL509852

SCHEMBL509852

CCc1nn(CCOC2CCCCO2)c(CC)c1Oc1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX3 P56373 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MET P08581 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL508231 0.92 L3MBTL1 (0.35) L3MBTL1KDM4CNPC1RAB9AMET
SCHEMBL508747 0.90 MEN1 (0.35) L3MBTL1KDM4CNPC1RAB9AP2RX3
SCHEMBL14599714 0.90 L3MBTL1 (0.36) L3MBTL1KDM4CNPC1RAB9AMEN1
SCHEMBL509945 0.88 L3MBTL1 (0.35) L3MBTL1KDM4CNPC1RAB9AP2RX3
SCHEMBL508458 0.84 NPC1 (0.38) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL509573 0.83 KCNH2 (0.37) KDM4CNPC1RAB9AP2RX3MEN1
SCHEMBL509150 0.82 KDM4C (0.35) L3MBTL1KDM4CNPC1RAB9AP2RX3
SCHEMBL508425 0.82 MET (0.34) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL508220 0.80 MET (0.35) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL509390 0.78 MET (0.36) KDM4CNPC1RAB9AMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 L3MBTL1 611/4885KDM4C 1498/4885NPC1 3331/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 L3MBTL1 848/4885KDM4C 1561/4885NPC1 3490/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD L3MBTL1 2125/4885KDM4C 2153/4885NPC1 2912/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 L3MBTL1 1876/4885KDM4C 2413/4885NPC1 2071/4885

“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.