SCHEMBL5228191

SCHEMBL5228191

CC(=O)NCCNCc1[nH]nc(C)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.41
KCNH2 Q12809 1/20 0.35
CNR1 P21554 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
MAPT P10636 1/20 0.33
VSIR Q9H7M9 1/20 0.33
CD274 Q9NZQ7 4/20 0.32
PDCD1 Q15116 2/20 0.32
POLB P06746 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
SCHEMBL5226736 0.90 KCNH2 (0.50) P2RX7KCNH2CD274PDCD1
SCHEMBL5229626 0.81 HTT (0.39) P2RX7KCNH2
SCHEMBL10254128 0.78 P2RX7 (0.41) P2RX7KCNH2MAPT
SCHEMBL5228520 0.78 ALDH1A1 (0.39) P2RX7KCNH2MAPT
SCHEMBL5224371 0.78 KCNH2 (0.44) P2RX7KCNH2MAPTCD274
SCHEMBL508731 0.76 P2RX7 (0.41) P2RX7KCNH2MAPT
SCHEMBL5226230 0.74 P2RX7 (0.62) P2RX7MAPT
SCHEMBL509432 0.74 BCHE (0.40) MAPTPOLB
SCHEMBL509008 0.74 LMNA (0.38) P2RX7KCNH2CARM1PRMT6MAPT
SCHEMBL508948 0.73 KCNH2 (0.44) P2RX7KCNH2

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 5 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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO 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 2065/4885KCNH2 3503/4885CNR1 3071/4885

“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.