SCHEMBL508715

SCHEMBL508715

CCc1nn(CCNC(=O)O)c(CBr)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
PTGDR2 Q9Y5Y4 8/20 0.37
HIF1A Q16665 1/20 0.32
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
LTA4H P09960 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
SCHEMBL509867 0.91 MAPT (0.40) MAPTPTGDR2HIF1AKCNH2ALDH1A1
SCHEMBL508080 0.90 MAPT (0.40) MAPTPTGDR2HIF1AKCNH2ALDH1A1
SCHEMBL509601 0.88 MAPT (0.41) MAPTPTGDR2HIF1AKCNH2ALDH1A1
SCHEMBL10285154 0.87 DRD2 (0.37) MAPTPTGDR2ALDH1A1
SCHEMBL509007 0.84 MAPT (0.36) MAPTPTGDR2HIF1ALTA4H
SCHEMBL509399 0.84 MAPT (0.36) MAPTPTGDR2LMNA
SCHEMBL509060 0.82 FAAH (0.36) MAPTPTGDR2ALDH1A1LMNASMN1; SMN2
SCHEMBL509764 0.81 ALDH1A1 (0.39) PTGDR2ALDH1A1LMNASMN1; SMN2
SCHEMBL509505 0.80 MAPT (0.37) MAPTPTGDR2KCNH2LMNA
SCHEMBL5226939 0.80 PTGDR2 (0.35) MAPTPTGDR2

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 13 patents. 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-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
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 MAPT 2220/4885PTGDR2 3222/4885HIF1A 3683/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MAPT 2163/4885PTGDR2 3365/4885HIF1A 3726/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MAPT 1474/4885PTGDR2 3632/4885HIF1A 3132/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MAPT 2150/4885PTGDR2 3728/4885HIF1A 2406/4885

“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.