SCHEMBL568349

SCHEMBL568349

CNS(=O)(=O)c1ccc(CNC=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR7 P34969 1/20 0.38
GAA P10253 1/20 0.38
MEP1B Q16820 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37

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
SCHEMBL568729 0.89 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2LMNAMAPTCA1
SCHEMBL568849 0.86 SMN1; SMN2 (0.43) TP53SMN1; SMN2LMNAMAPTCA1
SCHEMBL568535 0.80 ADH1B (0.39) LMNAALDH1A1ADH1BADH1CADH1A
SCHEMBL5990841 0.79 HTR7 (0.47) SMN1; SMN2LMNAMAPTALDH1A1HTR7
SCHEMBL1486251 0.79 ALDH1A1 (0.60) SMN1; SMN2LMNAMAPTCA1CA2
SCHEMBL5647150 0.77 L3MBTL1 (0.48) L3MBTL1TP53SMN1; SMN2CA1CA2
SCHEMBL2780708 0.75 ALDH1A1 (0.55) LMNAALDH1A1GAA
SCHEMBL3310620 0.75 MEN1 (0.46) SMN1; SMN2ALDH1A1ADH1BADH1CADH1A
SCHEMBL30037244 0.75 ALDH1A1 (0.55) LMNAALDH1A1GAA
SCHEMBL20526456 0.74 ALDH1A1 (0.54) LMNAMAPTALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-7879873-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 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-20110086846-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 L3MBTL1 4281/4885TP53 4558/4885SMN1; SMN2 1172/4885
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 L3MBTL1 4226/4885TP53 4483/4885SMN1; SMN2 1334/4885

“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.