SCHEMBL5240146

SCHEMBL5240146

Cc1ccc(CC(=O)c2cccc(C)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
P2RX7 Q99572 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
GRM5 P41594 1/20 0.45
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GBA1 P04062 1/20 0.42
TP53 P04637 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CTBP2 P56545 1/20 0.40
NLRP3 Q96P20 1/20 0.40
MEN1 O00255 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 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
SCHEMBL2801582 0.88 P2RX7 (0.53) RAB9ANPC1SMN1; SMN2P2RX7L3MBTL1
SCHEMBL5235569 0.87 P2RX7 (0.49) RAB9ANPC1SMN1; SMN2P2RX7GRM5
SCHEMBL5240771 0.84 USP2 (0.51) RAB9ANPC1SMN1; SMN2P2RX7L3MBTL1
SCHEMBL38661570 0.84 USP2 (0.51) RAB9ANPC1SMN1; SMN2P2RX7L3MBTL1
SCHEMBL5234383 0.83 P2RX7 (0.45) RAB9ANPC1SMN1; SMN2P2RX7GRM5
SCHEMBL5235128 0.81 ALOX5 (0.49) P2RX7L3MBTL1GRM5KMT2AMAPT
SCHEMBL5237050 0.80 P2RX7 (0.45) RAB9ANPC1SMN1; SMN2P2RX7GRM5
SCHEMBL5237685 0.78 NAPRT (0.53) P2RX7GRM5
SCHEMBL5198154 0.78 P2RX7 (0.46) RAB9ANPC1P2RX7L3MBTL1GRM5
SCHEMBL14576794 0.78 NPC1 (0.48) RAB9ANPC1SMN1; SMN2P2RX7GRM5

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 RAB9A 2005/4885NPC1 3778/4885SMN1; SMN2 4655/4885

“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.