SCHEMBL16018751

SCHEMBL16018751

CC(C)c1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TRPA1 O75762 1/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 2/20 0.34
PTGS2 P35354 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GCGR P47871 2/20 0.33
HTR2A P28223 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL13718456 0.83 ALDH1A1 (0.39) HTR6TDP1MAPK1ALDH1A1NPSR1
SCHEMBL4346170 0.80 HTR6 (0.36) HTR6TDP1MAPK1ALDH1A1NPSR1
SCHEMBL16018757 0.79 PTGS2 (0.37) HTR2CPTGS2GCGRHTR2AKDM4E
SCHEMBL8203524 0.78 ALDH1A1 (0.41) HTR6TDP1MAPK1ALDH1A1NPSR1
SCHEMBL16016397 0.75 HTR6 (0.39) HTR6TDP1MAPK1ALDH1A1NPSR1
SCHEMBL1020357 0.75 SMN1; SMN2 (0.39) HTR6TDP1MAPK1ALDH1A1NPSR1
SCHEMBL1020748 0.74 HTR6 (0.36) HTR6TDP1MAPK1ALDH1A1NPSR1
SCHEMBL13718457 0.73 KDM4E (0.37) HTR6TDP1MAPK1ALDH1A1NPSR1
SCHEMBL1019826 0.73 ALDH1A1 (0.37) HTR6ALDH1A1HTR2CKDM4E
SCHEMBL16018753 0.72 SLC6A3 (0.43) TDP1MAPK1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200009-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 HTR6 2125/4885TDP1 181/4885MAPK1 792/4885

“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.