SCHEMBL112194

SCHEMBL112194

COc1ccc(C(=O)NCC(=O)N2CCN(c3ccccc3-c3cnc(N4CCOCC4)nc3)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 3/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
WDR5 P61964 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
EIF4H Q15056 1/20 0.45

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
SCHEMBL3727965 0.88 SMN1; SMN2 (0.57) SMN1; SMN2KMT2APOLBNPC1EIF4H
SCHEMBL3746207 0.85 SMN1; SMN2 (0.64) SMN1; SMN2KMT2APOLBNPC1EIF4H
SCHEMBL13077194 0.84 POLB (0.49) KMT2AWDR5POLBEIF4H
SCHEMBL115019 0.83 SMN1; SMN2 (0.53) SMN1; SMN2KMT2APOLBNPC1EIF4H
SCHEMBL15925557 0.82 POLB (0.52) SMN1; SMN2KMT2APOLBNPC1EIF4H
SCHEMBL3739166 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KMT2APOLBNPC1EIF4H
SCHEMBL3732854 0.77 SMN1; SMN2 (0.53) SMN1; SMN2KMT2APOLBNPC1EIF4H
SCHEMBL113832 0.77 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ACYP2C9POLBEIF4H
SCHEMBL15925502 0.77 KMT2A (0.46) SMN1; SMN2KMT2AWDR5ALDH1A1HTT
SCHEMBL114165 0.75 KDM4E (0.42) SMN1; SMN2CYP2C9WDR5ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2424840-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 SMN1; SMN2 4646/4885KMT2A 4032/4885CYP2D6 1566/4885

“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.