SCHEMBL14355673

SCHEMBL14355673

CC(C)NC(=O)c1cc(C(C)C)cn1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
THRB P10828 1/20 0.42
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PHGDH O43175 2/20 0.35
MLYCD O95822 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL18665455 0.84 THRB (0.40) MAPTTHRBALDH1A1TP53LMNA
SCHEMBL14378120 0.82 CYP1A2 (0.43) MAPTTHRBALDH1A1MAPK1KDM4E
SCHEMBL21180762 0.82 MAPT (0.50) MAPTHPGDALDH1A1TP53MAPK1
SCHEMBL22808237 0.82 MAPT (0.50) MAPTHPGDALDH1A1TP53MAPK1
SCHEMBL19151596 0.78 CCNC (0.47) MAPTTHRBALDH1A1TP53LMNA
SCHEMBL22808234 0.77 MAPT (0.45) MAPTTHRBMAPK1KDM4EHSD17B10
SCHEMBL20086468 0.77 MAPT (0.45) MAPTTHRBALDH1A1TP53LMNA
SCHEMBL20086406 0.76 MAPT (0.44) MAPTTHRBALDH1A1LMNAKDM4E
SCHEMBL16691853 0.76 THRB (0.52) MAPTTHRBALDH1A1TP53LMNA
SCHEMBL20086452 0.73 MAPT (0.46) MAPTHPGDALDH1A1KDM4ESMN1; SMN2

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
EP-3350145-B1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL UNIV TEXAS (US) 2020-09-16 EP disclosed
US-10358439-B2 DNA binding agents with a minor groove binding tail BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 US disclosed
WO-2017049091-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-23 WO disclosed
US-7301037-B2 Charged compounds comprising a nucleic acid binding moiety and uses therefor GENESOFT, INC. (US) 2007-11-27 US disclosed
US-20070105135-A1 Charged compounds comprising a nucleic acid binding moiety and uses therefor GENESOFT PHARMACEUTICALS, INC. (US) 2007-05-10 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-20070105135-A1 Charged compounds comprising a nucleic acid binding moiety and uses therefor POLRMT, PCNA, SARS1 MAPT 4431/4885THRB 3881/4885HPGD 4065/4885
US-10358439-B2 DNA binding agents with a minor groove binding tail TOP2B, TOP2A, TOP1 MAPT 2623/4885THRB 1956/4885HPGD 2386/4885

“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.