SCHEMBL4479607

SCHEMBL4479607

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.67
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
PKM P14618 2/20 0.49
NPSR1 Q6W5P4 5/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
SLC22A12 Q96S37 7/20 0.47
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4483267 0.81 P2RX7 (1.00) P2RX7ALDH1A1HPGDKDM4EGAA
SCHEMBL4476510 0.81 P2RX7 (0.59) P2RX7ALDH1A1HPGDPKMNPSR1
SCHEMBL4481461 0.81 ALDH1A1 (0.56) P2RX7ALDH1A1HPGDKDM4EPKM
SCHEMBL2525802 0.78 ALDH1A1 (0.54) P2RX7ALDH1A1GAAPKMCYP3A4
SCHEMBL7508385 0.77 ATM (0.69) P2RX7ALDH1A1GAAPKMCYP3A4
SCHEMBL3165877 0.76 P2RX7 (0.44) P2RX7ALDH1A1PKMCYP3A4CYP2C19
SCHEMBL16759801 0.73 ALDH1A1 (0.40) P2RX7ALDH1A1HPGDPKMCYP3A4
SCHEMBL7509193 0.72 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EPKMNPSR1
SCHEMBL18669069 0.69 KMT2A (0.70) ALDH1A1HPGDPOLBSMN1; SMN2MEN1
SCHEMBL480184 0.67 TTR (0.45) P2RX7CYP2C9POLBMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP claimed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO 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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 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 (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 787/4885HPGD 282/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 P2RX7 81/4885ALDH1A1 741/4885HPGD 169/4885

“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.