SCHEMBL19964622

SCHEMBL19964622

CC(C)NC(=O)C(C)(C)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL23736477 0.79 ALDH1A1 (0.39) SIGMAR1POLBCA12CA1CA2
SCHEMBL22388966 0.76 MMP1 (0.35) MMP1MMP2MMP9MMP8
SCHEMBL152945 0.74 SIGMAR1 (0.40) SIGMAR1POLBCA12CA1CA2
SCHEMBL16975853 0.72
SCHEMBL10145220 0.72 SIGMAR1 (0.39) SIGMAR1POLBCA12CA1CA2
SCHEMBL21788049 0.72 CTSS (0.40) MMP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23894012 0.72 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL19531842 0.71 MLYCD (0.37) SIGMAR1POLBCA12CA1CA2
SCHEMBL26751580 0.71 CYP2D6 (0.46) POLBMMP1MMP8ALDH1A1GAA
SCHEMBL24567506 0.70 TSHR (0.42) SIGMAR1POLBCA12CA1CA2

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-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 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-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 SIGMAR1 2184/4885POLB 326/4885CA12 2687/4885

“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.