SCHEMBL5226744

SCHEMBL5226744

CCc1nn(CCNCCNC(C)=O)c(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
LTA4H P09960 1/20 0.35
MALT1 Q9UDY8 1/20 0.32
P2RX7 Q99572 2/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK8 P45983 1/20 0.31
FURIN P09958 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CNR1 P21554 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
SCHEMBL509007 0.88 MAPT (0.36) MAPTPTGDR2LTA4HFURIN
SCHEMBL509369 0.86 LTA4H (0.33) MAPTPTGDR2LTA4HMALT1P2RX7
SCHEMBL10285187 0.84 DRD2 (0.34) MAPTPTGDR2LTA4HALDH1A1
SCHEMBL5229156 0.83 P2RX7 (0.36) MAPTPTGDR2P2RX7KCNH2ALDH1A1
SCHEMBL5227058 0.83 MAPT (0.34) MAPTPTGDR2KCNH2
SCHEMBL509505 0.82 MAPT (0.37) MAPTPTGDR2KCNH2
SCHEMBL5227544 0.81 MAPT (0.36) MAPTPTGDR2KCNH2
SCHEMBL5231705 0.81 PTGDR2 (0.31) MAPTPTGDR2LTA4H
SCHEMBL509867 0.79 MAPT (0.40) MAPTPTGDR2LTA4HKCNH2ALDH1A1
SCHEMBL509302 0.79 PTGDR2 (0.38) MAPTPTGDR2KCNH2MAPK8ALDH1A1

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 3 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

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MAPT 2150/4885PTGDR2 3728/4885LTA4H 1945/4885

“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.