SCHEMBL5226665

SCHEMBL5226665

Cc1n[nH]c(CN2CCC(C(N)=O)CC2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.42
LTA4H P09960 4/20 0.39
KCNH2 Q12809 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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) ALDH1A1SMN1; SMN2LTA4HKCNH2HRH3
SCHEMBL5226728 0.84 MAPT (0.43) LTA4HKCNH2
SCHEMBL509887 0.80 PDE10A (0.39) ALDH1A1KDM4ESMN1; SMN2KCNH2NPC1
SCHEMBL509996 0.75 KCNH2 (0.50) ALDH1A1KCNH2HRH3TSHR
SCHEMBL5226802 0.75 KCNH2 (0.50) ALDH1A1SMN1; SMN2KCNH2
SCHEMBL509154 0.74 KCNH2 (0.48) ALDH1A1KCNH2HRH3HSD17B10
SCHEMBL508731 0.74 P2RX7 (0.41) KCNH2
SCHEMBL10254128 0.74 P2RX7 (0.41) ALDH1A1KCNH2
SCHEMBL1347408 0.73 KCNH2 (0.48) ALDH1A1KDM4ESMN1; SMN2LTA4HKCNH2
SCHEMBL508346 0.73 KCNH2 (0.54) KCNH2HRH3

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 ALDH1A1 385/4885GAA 710/4885KDM4E 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.