SCHEMBL5224587

SCHEMBL5224587

CCc1nn(C)c(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
MAPT P10636 1/20 0.40
RARG P13631 1/20 0.38
RORC P51449 1/20 0.38
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
GAA P10253 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
NMT1 P30419 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
SCHEMBL509197 0.82 KCNH2 (0.37) KCNH2MAPTPTGDR2
SCHEMBL509302 0.82 PTGDR2 (0.38) KCNH2MAPTPTGDR2MAPK8
SCHEMBL509176 0.81 KCNH2 (0.39) KCNH2MAPTPTGDR2
SCHEMBL5226712 0.80 KCNH2 (0.38) KCNH2MAPTPTGDR2
SCHEMBL5227544 0.80 MAPT (0.36) KCNH2MAPTPTGDR2
SCHEMBL5229824 0.80 MAPT (0.39) KCNH2MAPTPTGDR2
SCHEMBL508166 0.79 KCNH2 (0.44) KCNH2MAPTPTGDR2
SCHEMBL507983 0.79 KCNH2 (0.35) KCNH2MAPTPTGDR2
SCHEMBL1347174 0.78 KCNH2 (0.54) KCNH2RARGRORC
SCHEMBL509737 0.78 RAB9A (0.37) KCNH2MAPTPTGDR2

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 5 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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO 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 KCNH2 3503/4885MAPT 2150/4885RARG 3182/4885

“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.