SCHEMBL5229464

SCHEMBL5229464

CCc1nn(CCNCC2CCCO2)c(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL5227058 0.79 MAPT (0.34) MAPT
SCHEMBL5227544 0.78 MAPT (0.36) L3MBTL1MAPT
SCHEMBL5229156 0.77 P2RX7 (0.36) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL12131900 0.76 SLC6A2 (0.37)
SCHEMBL5226744 0.74 MAPT (0.37) MAPTALDH1A1SMN1; SMN2
SCHEMBL509254 0.74 NPC1 (0.36) KDM4EALDH1A1MAPK1CYP1A2
SCHEMBL509302 0.73 PTGDR2 (0.38) MAPTALDH1A1
SCHEMBL509197 0.73 KCNH2 (0.37) MAPTALDH1A1
SCHEMBL509176 0.72 KCNH2 (0.39) MAPT
SCHEMBL5229824 0.71 MAPT (0.39) MAPT

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 NPSR1 4322/4885L3MBTL1 1876/4885KMT2A 3782/4885

“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.