SCHEMBL4483267

SCHEMBL4483267

CN(C(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 1.00
ALDH1A1 P00352 9/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 2/20 0.46
PKM P14618 2/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 5/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4479607 0.81 P2RX7 (0.67) P2RX7ALDH1A1SMN1; SMN2POLBPKM
SCHEMBL4476510 0.74 P2RX7 (0.59) P2RX7ALDH1A1SMN1; SMN2PKMHPGD
SCHEMBL4252227 0.70 POLB (0.58) P2RX7ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL28219216 0.67 KDM4E (0.53) P2RX7ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL9001650 0.67 MAOA (0.63) ALDH1A1SMN1; SMN2POLBKDM4EHPGD
SCHEMBL9001647 0.67 ATM (0.72) POLBPKMKDM4ENPC1HTT
SCHEMBL4481461 0.66 ALDH1A1 (0.56) P2RX7ALDH1A1SMN1; SMN2POLBPKM
SCHEMBL23558023 0.66 ATM (0.58) P2RX7ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL6472897 0.66 POLB (0.53) P2RX7ALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL4516854 0.66 CYP2D6 (0.53) P2RX7ALDH1A1POLBKDM4EGAA

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
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 P2RX7 205/4885ALDH1A1 787/4885SMN1; SMN2 1433/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 P2RX7 81/4885ALDH1A1 741/4885SMN1; SMN2 1419/4885

“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.