SCHEMBL441271

SCHEMBL441271

COC(=O)[C@H]1CC[C@H](C(=O)NNC(=O)c2cccnc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 3/20 0.49
GAA P10253 6/20 0.48
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
MMP2 P08253 1/20 0.47
ANPEP P15144 1/20 0.47
CYP2C19 P33261 1/20 0.47
FTO Q9C0B1 1/20 0.47

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
SCHEMBL441272 1.00 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AKDM4EALDH1A1GAA
SCHEMBL438999 0.84 KDM4E (0.54) KMT2AKDM4EALDH1A1GAACYP2C19
SCHEMBL438998 0.84 KDM4E (0.54) KMT2AKDM4EALDH1A1GAACYP2C19
SCHEMBL25247992 0.80 KMT2A (0.56) SMN1; SMN2KMT2AKDM4EALDH1A1GAA
SCHEMBL5361880 0.77 HDAC1 (0.74) SMN1; SMN2KMT2AALDH1A1GAACYP3A4
SCHEMBL443394 0.76 KDM4E (0.49) SMN1; SMN2KMT2AKDM4EALDH1A1GAA
SCHEMBL3110634 0.76 ALDH1A1 (0.51) SMN1; SMN2KMT2AALDH1A1GAACYP1A2
SCHEMBL29988236 0.76 CYP3A4 (0.56) SMN1; SMN2KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL3110639 0.76 ALDH1A1 (0.51) SMN1; SMN2KMT2AALDH1A1GAACYP1A2
SCHEMBL443393 0.76 KDM4E (0.49) SMN1; SMN2KMT2AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT SMN1; SMN2 2301/4885KMT2A 667/4885KDM4E 2452/4885

“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.