SCHEMBL5226728

SCHEMBL5226728

CC(=O)NC1CCN(Cc2[nH]nc(C)c2Oc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LTA4H P09960 3/20 0.42
CCR5 P51681 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
MCHR1 Q99705 6/20 0.39
HTR2A P28223 1/20 0.39
SLC2A1 P11166 1/20 0.38
ICAM1 P05362 1/20 0.38

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
SCHEMBL5225036 0.84 LMNA (0.41) MAPTLTA4HKCNH2PDCD1LG2CD274
SCHEMBL5226665 0.84 ALDH1A1 (0.44) LTA4HKCNH2
SCHEMBL509887 0.79 PDE10A (0.39) KCNH2
SCHEMBL509996 0.76 KCNH2 (0.50) KCNH2
SCHEMBL10254128 0.74 P2RX7 (0.41) MAPTKCNH2
SCHEMBL509154 0.74 KCNH2 (0.48) MAPK1KCNH2
SCHEMBL5226802 0.74 KCNH2 (0.50) MAPTKCNH2
SCHEMBL508731 0.72 P2RX7 (0.41) MAPTKCNH2
SCHEMBL5228520 0.72 ALDH1A1 (0.39) MAPTKCNH2
SCHEMBL1347408 0.72 KCNH2 (0.48) MAPTMAPK1LTA4HKCNH2MCHR1

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 2150/4885MAPK1 1641/4885NPSR1 4322/4885

“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.