SCHEMBL1992970

SCHEMBL1992970

CN1CCN(c2cc(CC(=O)OC(C)(C)C)c3ccccc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
PKM P14618 1/20 0.56
HTR3A P46098 2/20 0.53
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 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
SCHEMBL1996700 0.87 KDM4E (0.66) KMT2AKDM4EALDH1A1MEN1USP2
SCHEMBL1996892 0.82 HTR3A (0.62) KMT2AKDM4EALDH1A1MEN1USP2
SCHEMBL5910624 0.79 KMT2A (0.69) KMT2AKDM4EALDH1A1MEN1USP2
SCHEMBL989988 0.76 HTR3A (0.39) HTR3A
SCHEMBL28455263 0.74 KDM4E (0.75) KMT2AKDM4EALDH1A1MEN1USP2
SCHEMBL991290 0.73 CYP1A2 (0.40) KDM4EALDH1A1HTR3AMAPT
SCHEMBL28538954 0.73 KDM4E (0.98) KMT2AKDM4EALDH1A1MEN1USP2
SCHEMBL990733 0.72 WNT1 (0.46) KDM4EALDH1A1
SCHEMBL19989884 0.72 CKS1B (0.55) KMT2AKDM4EALDH1A1MEN1USP2
SCHEMBL5910282 0.71 KMT2A (1.00) KMT2AKDM4EALDH1A1MEN1USP2

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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO KMT2A 3648/4885KDM4E 3351/4885ALDH1A1 297/4885

“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.