SCHEMBL3101424

SCHEMBL3101424

O=C(Nc1ccccc1)c1ccccc1N1CCN(C(=O)CCl)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.54
TEAD4 Q15561 1/20 0.54
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.48
ENPP2 Q13822 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.47
RBP4 P02753 2/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.46
USP2 O75604 2/20 0.46
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CHRM5 P08912 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
SCHEMBL14665052 0.85 MAPT (0.49) GFERSMN1; SMN2ALDH1A1ENPP2NPSR1
SCHEMBL111857 0.80 TRPV1 (0.47) SMN1; SMN2ALDH1A1MAPTKMT2APOLB
SCHEMBL3105119 0.78 TRPV1 (0.50) SMN1; SMN2ALDH1A1KMT2AGAAPOLB
SCHEMBL113596 0.78 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTKMT2AGAA
SCHEMBL31195223 0.78 FAAH (0.66) YAP1TEAD4NPSR1MAPTGAA
SCHEMBL109937 0.78 PTPN11 (0.66) SMN1; SMN2ALDH1A1MAPTRBP4KMT2A
SCHEMBL111889 0.77 CXCR3 (0.67) SMN1; SMN2ALDH1A1MAPTKMT2AGAA
SCHEMBL113324 0.77 PTPN11 (0.43) SMN1; SMN2ALDH1A1MAPTRBP4KMT2A
SCHEMBL7841604 0.77 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL112087 0.76 CYP1A2 (0.48) GFERSMN1; SMN2ALDH1A1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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 (1 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 YAP1 1361/4885TEAD4 2838/4885GFER 2844/4885

“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.