SCHEMBL111134

SCHEMBL111134

Cc1nc(C)c(C(=O)NCC(=O)N2CCN(c3ccccc3C(=O)Nc3cccnc3)CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGLEC9 Q9Y336 1/20 0.49
RAB9A P51151 3/20 0.44
RECQL P46063 1/20 0.44
NAMPT P43490 4/20 0.43
TRPV1 Q8NER1 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
PTPN11 Q06124 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP11B2 P19099 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL110852 0.83 KMT2A (0.59) RAB9ANAMPTTRPV1HSD17B10ALDH1A1
SCHEMBL111553 0.81 PKM (0.58) RAB9ARECQLALDH1A1KMT2AKDM4E
SCHEMBL159993 0.81 NAMPT (0.46) RAB9ANAMPTTRPV1HSD17B10ALDH1A1
SCHEMBL162993 0.80 TRPV1 (0.44) RAB9ANAMPTTRPV1HSD17B10ALDH1A1
SCHEMBL111064 0.80 NAMPT (0.44) RAB9ANAMPTTRPV1HSD17B10ALDH1A1
SCHEMBL13076824 0.80 NAMPT (0.52) NAMPTTRPV1HSD17B10ALDH1A1KMT2A
SCHEMBL110554 0.80 NAMPT (0.47) RAB9ANAMPTTRPV1HSD17B10ALDH1A1
SCHEMBL111081 0.79 ALDH1A1 (0.58) RAB9AHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL111089 0.78 POLB (0.63) RAB9AHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL113246 0.78 GAA (0.52) RAB9AKDM4ESMN1; SMN2NPC1

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 7 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
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
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP 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

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 SIGLEC9 1257/4885RAB9A 1421/4885RECQL 958/4885

“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.