SCHEMBL1003535

SCHEMBL1003535

CC(C)(C)C(I)CCCCNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
EPHX1 P07099 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FOLH1 Q04609 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ADRA1A P35348 1/20 0.32
POLB P06746 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32

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
SCHEMBL22076985 0.86 CYP2D6 (0.37) MEN1KMT2AGAAKDM4CSMN1; SMN2
SCHEMBL17632320 0.78 DPP7 (0.40) MEN1KMT2AGAAKDM4EMAPK1
SCHEMBL10141101 0.74 CYP2D6 (0.50) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL4352303 0.73 MEN1 (0.43) MEN1KMT2AGAAKDM4EMAPK1
SCHEMBL19468466 0.72 CYP2D6 (0.48) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL19468487 0.72 CYP2D6 (0.48) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL19468495 0.72 CYP2D6 (0.48) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL19468525 0.72 CYP2D6 (0.48) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL19468486 0.72 CYP2D6 (0.48) MEN1KMT2AKDM4EMAPK1HIF1A
SCHEMBL19468518 0.72 CYP2D6 (0.48) MEN1KMT2AKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2012-05-03 US disclosed
WO-2011005609-A2 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-01-13 WO 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-20120107248-A1 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY SLC10A2, KCNN3, KCNN2 MEN1 1222/4885KMT2A 1714/4885GAA 279/4885

“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.