SCHEMBL3465331

SCHEMBL3465331

COc1cc([CH]CC(N)=O)cc(S(C)(=O)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KCNH2 Q12809 1/20 0.31
NNMT P40261 2/20 0.31
MTNR1A P48039 1/20 0.30

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
SCHEMBL3465466 0.83 LMNA (0.45) LMNASMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL3698437 0.82 LMNA (0.50) LMNASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL3465922 0.81 GLP1R (0.32) ALDH1A1
SCHEMBL3465679 0.78 BPTF (0.33) NNMT
SCHEMBL3464568 0.78
SCHEMBL567866 0.76
SCHEMBL569092 0.76
SCHEMBL3466828 0.75 PTGS2 (0.33) MAPK1
SCHEMBL1346260 0.74 LMNA (0.47) LMNASMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL3465567 0.73 ALDH1A1 (0.32) ALDH1A1MAPK1KCNH2

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
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 LMNA 4848/4885SMN1; SMN2 1172/4885ALDH1A1 523/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 LMNA 3632/4885SMN1; SMN2 411/4885ALDH1A1 268/4885

“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.