SCHEMBL914702

SCHEMBL914702

CC(C)COc1cccc2[nH]c(C(=O)Nc3ccc(CCN4CCCCCC4)cc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PTGER1 P34995 2/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.42
ABCB1 P08183 4/20 0.41
ABCG2 Q9UNQ0 3/20 0.41
ADRB3 P13945 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT3 P36888 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL4409139 0.86 ADRB3 (0.41) MEN1KMT2APTGER1ADRB3
SCHEMBL914256 0.81 KMT2A (0.44) KMT2AKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL914473 0.81 KMT2A (0.44) KMT2AKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL914073 0.80 KDM4E (0.46) MEN1KMT2AKDM4EHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL916270 0.79 ALDH1A1 (0.46) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL915245 0.79 KDR (0.39) MEN1KMT2AKDM4EPTGER1RAB9A
SCHEMBL914650 0.75 MEN1 (0.47) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL913976 0.75 KMT2A (0.44) KMT2AKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL913763 0.75 KMT2A (0.46) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL913827 0.75 KMT2A (0.46) MEN1KMT2AKDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US claimed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MEN1 3891/4885KMT2A 4109/4885KDM4E 4266/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MEN1 3849/4885KMT2A 4125/4885KDM4E 4275/4885

“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.