SCHEMBL16263165

SCHEMBL16263165

CNCc1cn(CC(C)(C)C)nn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 10/20 0.35
GGPS1 O95749 3/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
CYP19A1 P11511 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 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
SCHEMBL17678394 0.85 GGPS1 (0.37) GGPS1CYP19A1
SCHEMBL24773840 0.81 GBA1 (0.31) GBA1
SCHEMBL10025991 0.79 GGPS1 (0.36) GGPS1CYP19A1
SCHEMBL12196326 0.79 GGPS1 (0.39) GBA1GGPS1CYP19A1
SCHEMBL15628432 0.79 GBA1 (0.40) GBA1CYP19A1KDM4ETP53
SCHEMBL18869734 0.79 GBA1 (0.37) GBA1CYP19A1KDM4ETP53
SCHEMBL19723359 0.78 GBA1 (0.36) GBA1CYP19A1KDM4ETP53
SCHEMBL12196309 0.78 GGPS1 (0.35) GGPS1CYP19A1
SCHEMBL12197434 0.78 NOTUM (0.49) GGPS1KDM4E
SCHEMBL23974517 0.76 CYP19A1 (0.54) GBA1GGPS1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771389-B2 Tylosin derivatives and method for preparation thereof THE KITASAKO INSTITUTE (JP) 2017-09-26 US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed
US-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF THE KITASAKO INSTITUTE (JP) 2016-04-21 US disclosed
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION ELANCO ANIMAL HEALTH GMBH (DE) 2014-11-27 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-20160108077-A1 TYLOSIN DERIVATIVES AND METHOD FOR PREPARATION THEREOF TMSB10, MLN, TMSB4X GBA1 333/4885GGPS1 244/4885HTR2A 703/4885
US-20140349954-A1 ANTIBACTERIAL TYLOSIN DERIVATIVES AND METHODS FOR THEIR PREPARATION MLN, TMSB10, TMSB4X GBA1 483/4885GGPS1 376/4885HTR2A 2333/4885

“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.