SCHEMBL508698

SCHEMBL508698

Cc1nn(CCO)c(C)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
P2RX7 Q99572 2/20 0.38
GLS O94925 1/20 0.37
ENPP3 O14638 1/20 0.37
ALPL P05186 1/20 0.37
ENPP1 P22413 1/20 0.37
XIAP P98170 1/20 0.37
MAPK8 P45983 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.34
SPR P35270 1/20 0.34
BRD4 O60885 1/20 0.34
CYP1A1 P04798 1/20 0.33
CRHR1 P34998 1/20 0.32
KMO O15229 1/20 0.32
KMT2A Q03164 1/20 0.31
AR P10275 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL508669 0.88 KCNH2 (0.46) MAPTLMNAALOX15P2RX7ENPP3
SCHEMBL10250575 0.79 MAPT (0.46) MAPTLMNAENPP3ALPLENPP1
SCHEMBL509973 0.78 MAPT (0.35) MAPTLMNAALOX15GLSENPP3
SCHEMBL509302 0.77 PTGDR2 (0.38) MAPTMAPK8ALDH1A1BRD4CRHR1
SCHEMBL4110656 0.76 AR (0.53) P2RX7BRD4AR
SCHEMBL10251005 0.75 EPAS1 (0.40) P2RX7AR
SCHEMBL4114649 0.74 PGR (0.50) MAPTLMNAALOX15BRD4AR
SCHEMBL509051 0.74 KCNH2 (0.43) MAPTMAPK8ALDH1A1BRD4
SCHEMBL4104698 0.74 AR (0.43) LMNAALOX15ALDH1A1BRD4AR
SCHEMBL509269 0.73 MAPT (0.36) MAPTLMNAHTTBRD4CRHR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
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-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 MAPT 2220/4885LMNA 3796/4885ALOX15 2566/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MAPT 2163/4885LMNA 3981/4885ALOX15 2829/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MAPT 1474/4885LMNA 3976/4885ALOX15 2418/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MAPT 2150/4885LMNA 3857/4885ALOX15 2226/4885

“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.