SCHEMBL5225036

SCHEMBL5225036

CC(=O)N1CCN(Cc2[nH]nc(C)c2Oc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FAAH O00519 3/20 0.39
CHEK1 O14757 1/20 0.38
MAPT P10636 2/20 0.36
LTA4H P09960 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
KCNH2 Q12809 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MCHR1 Q99705 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL509996 0.90 KCNH2 (0.50) LMNAKMT2AHRH3MEN1ATM
SCHEMBL5226728 0.84 MAPT (0.43) MAPTLTA4HPDCD1LG2CD274KCNH2
SCHEMBL5226665 0.84 ALDH1A1 (0.44) HRH3ALDH1A1LTA4HKCNH2SMN1; SMN2
SCHEMBL509887 0.83 PDE10A (0.39) ALDH1A1KCNH2SMN1; SMN2
SCHEMBL5226802 0.82 KCNH2 (0.50) ALDH1A1FAAHMAPTKCNH2CHRM1
SCHEMBL509154 0.80 KCNH2 (0.48) HRH3ALDH1A1FAAHKCNH2CHRM1
SCHEMBL1347408 0.80 KCNH2 (0.48) ALDH1A1MAPTLTA4HKCNH2MCHR1
SCHEMBL14540417 0.79 KCNH2 (0.47) ALDH1A1FAAHKCNH2
SCHEMBL10254128 0.78 P2RX7 (0.41) ALDH1A1MAPTKCNH2L3MBTL1
SCHEMBL508668 0.78 HPGD (0.42) LMNAKMT2AMEN1ALDH1A1MAPT

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 LMNA 3857/4885KMT2A 3782/4885HRH3 2186/4885

“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.