SCHEMBL5225100

SCHEMBL5225100

CCc1nn(CCO)c(CC)c1Oc1cccc(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
P2RX7 Q99572 1/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 1/20 0.34
GPBAR1 Q8TDU6 4/20 0.34
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL5225185 0.90 LMNA (0.37) MAPK14PTGDR2P2RX7TSHRALDH1A1
SCHEMBL5229746 0.88 P2RX7 (0.37) MAPK14PTGDR2P2RX7KMT2AESR1
SCHEMBL5227746 0.81 PTGDR2 (0.42) PTGDR2ALDH1A1GPBAR1LMNA
SCHEMBL5226171 0.81 FPR2 (0.41) PTGDR2TP53TSHRL3MBTL1LMNA
SCHEMBL5226413 0.81 LMNA (0.39) KDM4EALDH1A1KMT2AGAAL3MBTL1
SCHEMBL5228227 0.79 PTGDR2 (0.40) PTGDR2CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL5224650 0.78 PGR (0.39) PTGDR2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL5226203 0.78 DHODH (0.38) PTGDR2GAAATM
SCHEMBL5228272 0.77 PTGDR2 (0.36) PTGDR2ALDH1A1KMT2AMEN1HSP90AA1
SCHEMBL5225352 0.77 AR (0.41) PTGDR2SLC22A12

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 MAPK14 3257/4885PTGDR2 3728/4885KDM4E 2816/4885

“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.