SCHEMBL4476510

SCHEMBL4476510

O=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.59
KLKB1 P03952 2/20 0.55
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
BRD4 O60885 6/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KLK1 P06870 1/20 0.47

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
SCHEMBL4482984 0.86 BRD4 (0.60) KLKB1ALDH1A1HPGDMAPTLMNA
SCHEMBL4479607 0.81 P2RX7 (0.67) P2RX7ALDH1A1HPGDMAPTHTT
SCHEMBL4483267 0.74 P2RX7 (1.00) P2RX7ALDH1A1HPGDMAPTHTT
SCHEMBL4470067 0.74 GAA (0.59) HPGDMAPTLMNAHTTMEN1
SCHEMBL27920895 0.71 EPHX2 (0.80) ALDH1A1HPGDMAPTHTTMEN1
SCHEMBL18669063 0.71 SYK (0.58) HPGDMAPTLMNAMEN1KMT2A
SCHEMBL9356186 0.71 ALDH1A1 (0.57) ALDH1A1HPGDMAPTLMNAHTT
SCHEMBL5648574 0.70 LMNA (0.75) ALDH1A1HPGDMAPTLMNAMEN1
Hydrochloric Acid SCHEMBL9356141 0.70 ALDH1A1 (0.56) ALDH1A1HPGDMAPTLMNAHTT
SCHEMBL6471270 0.69 NPC1 (0.47) ALDH1A1HPGDMAPTLMNAHTT

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 205/4885KLKB1 2298/4885ALDH1A1 787/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 P2RX7 81/4885KLKB1 2062/4885ALDH1A1 741/4885

“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.