SCHEMBL5226230

SCHEMBL5226230

Cc1n[nH]c(CC(=O)NCc2ccc(Cl)cc2Cl)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.62
TDP1 Q9NUW8 1/20 0.48
ERCC1 P07992 2/20 0.46
ERCC4 Q92889 2/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5227699 0.84 P2RX7 (0.62) P2RX7NPC1RAB9AALDH1A1HTT
SCHEMBL5227112 0.82 P2RX7 (0.53) P2RX7
SCHEMBL5229533 0.82 P2RX7 (0.50) P2RX7LMNARAB9AMEN1ALDH1A1
SCHEMBL5227908 0.79 P2RX7 (0.58) P2RX7LMNANPC1RAB9AMEN1
SCHEMBL10254128 0.78 P2RX7 (0.41) P2RX7MAPTALDH1A1L3MBTL1
SCHEMBL508731 0.78 P2RX7 (0.41) P2RX7MAPTTHRB
SCHEMBL3403485 0.77 P2RX7 (1.00) P2RX7
SCHEMBL5225028 0.75 KCNH2 (0.51) P2RX7HTTL3MBTL1
SCHEMBL5227612 0.75 CYP3A4 (0.48) LMNAMAPTNPC1RAB9AALDH1A1
SCHEMBL5228191 0.74 P2RX7 (0.41) P2RX7MAPT

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 2065/4885TDP1 68/4885ERCC1 1274/4885

“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.