SCHEMBL508458

SCHEMBL508458

CCc1nn(CCOC2CCCCO2)c(CC)c1Oc1cc(C#N)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 3/20 0.35
MET P08581 2/20 0.35
GCK P35557 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.31
HRH3 Q9Y5N1 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 0.91 L3MBTL1 (0.35) NPC1RAB9AKCNH2METGCK
SCHEMBL509573 0.91 KCNH2 (0.37) NPC1RAB9AKCNH2METGCK
SCHEMBL508425 0.91 MET (0.34) NPC1RAB9AKCNH2METGCK
SCHEMBL508220 0.88 MET (0.35) NPC1RAB9AKCNH2METGCK
SCHEMBL509390 0.86 MET (0.36) NPC1RAB9AKCNH2METGCK
SCHEMBL10251043 0.85 KCNH2 (0.32) KCNH2METGCKMEN1KMT2A
SCHEMBL509852 0.84 L3MBTL1 (0.39) NPC1RAB9AMETKDM4CMEN1
SCHEMBL508433 0.83 GCK (0.36) NPC1RAB9AKCNH2METGCK
SCHEMBL14599376 0.82 MET (0.34) NPC1RAB9AKCNH2METGCK
SCHEMBL14599375 0.81 MET (0.34) NPC1RAB9AMETGCKKDM4C

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 20 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
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 NPC1 3331/4885RAB9A 2089/4885KCNH2 3441/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 NPC1 3490/4885RAB9A 1967/4885KCNH2 3304/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD NPC1 2912/4885RAB9A 2321/4885KCNH2 3548/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 NPC1 2071/4885RAB9A 2224/4885KCNH2 3503/4885

“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.