SCHEMBL5227699

SCHEMBL5227699

Cc1n[nH]c(CC(=O)NCc2cccc(Cl)c2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.62
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 2/20 0.45
ANO1 Q5XXA6 1/20 0.45
PLA2G1B P04054 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5229533 0.86 P2RX7 (0.50) P2RX7RAB9AHTTALDH1A1KMT2A
SCHEMBL5226230 0.84 P2RX7 (0.62) P2RX7NPC1RAB9AHTTL3MBTL1
SCHEMBL5227908 0.83 P2RX7 (0.58) P2RX7NPC1RAB9AALDH1A1KMT2A
SCHEMBL5227112 0.80 P2RX7 (0.53) P2RX7
SCHEMBL5227612 0.79 CYP3A4 (0.48) NPC1RAB9AALDH1A1KMT2A
SCHEMBL508731 0.78 P2RX7 (0.41) P2RX7
SCHEMBL10254128 0.78 P2RX7 (0.41) P2RX7L3MBTL1ALDH1A1
SCHEMBL3405455 0.77 P2RX7 (1.00) P2RX7
SCHEMBL5225140 0.76 KMT2A (0.47) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL5229265 0.75 KCNH2 (0.51) P2RX7KMT2A

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 P2RX7 2065/4885NPC1 2071/4885RAB9A 2224/4885

“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.