SCHEMBL5227908

SCHEMBL5227908

Cc1n[nH]c(CC(=O)NCc2ccc(C(F)(F)F)cc2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.58
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CHRM4 P08173 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT2 Q96PD7 1/20 0.39

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 0.89 P2RX7 (0.50) P2RX7ALDH1A1HPGDLMNAPOLB
SCHEMBL5227699 0.83 P2RX7 (0.62) P2RX7ALDH1A1NPC1RAB9AKMT2A
SCHEMBL5227112 0.83 P2RX7 (0.53) P2RX7DGAT2
SCHEMBL5226230 0.79 P2RX7 (0.62) P2RX7ALDH1A1LMNAMEN1NPC1
SCHEMBL5226456 0.77 KCNH2 (0.48) P2RX7CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL508731 0.75 P2RX7 (0.41) P2RX7
SCHEMBL10254128 0.75 P2RX7 (0.41) P2RX7ALDH1A1CYP3A4
SCHEMBL3402573 0.74 P2RX7 (1.00) P2RX7
SCHEMBL509008 0.73 LMNA (0.38) P2RX7LMNACARM1PRMT6MEN1
SCHEMBL5227612 0.73 CYP3A4 (0.48) ALDH1A1LMNAPOLBNPC1RAB9A

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 2065/4885ALDH1A1 385/4885HPGD 844/4885

“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.