SCHEMBL5231872

SCHEMBL5231872

O=C(Cc1ccc(F)cc1)c1cccc(C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
AHR P35869 1/20 0.42
KCNK3 O14649 1/20 0.41
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR1A P08908 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GRM5 P41594 2/20 0.38
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5232726 0.79 LMNA (0.42) EGFRERBB2HTTLMNASMN1; SMN2
SCHEMBL5235569 0.79 P2RX7 (0.49) P2RX7HTTLMNASMN1; SMN2KDM4E
SCHEMBL5238450 0.77 LMNA (0.47) HTTLMNASMN1; SMN2KDM4EHSD17B10
SCHEMBL22493452 0.76 P2RX7 (0.61) P2RX7AHR
SCHEMBL31126771 0.76 P2RX7 (0.61) P2RX7AHR
Bromide SCHEMBL31126732 0.75 P2RX7 (0.59) P2RX7AHR
SCHEMBL27737055 0.75 P2RX7 (0.68) P2RX7AHRKDM4EPTGS1PTGS2
SCHEMBL5233859 0.74 LMNA (0.48) HTTLMNASMN1; SMN2KDM4EHSD17B10
SCHEMBL25537685 0.74 P2RX7 (0.58) P2RX7AHR
SCHEMBL24443459 0.73 P2RX7 (0.60) P2RX7AHRHTR1A

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-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed

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-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 P2RX7 589/4885AHR 3699/4885KCNK3 4089/4885

“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.