SCHEMBL7501784

SCHEMBL7501784

O=C(NC1CN(C(=O)Cc2ccccc2)C1)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ORAI1 Q96D31 4/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
RIPK1 Q13546 2/20 0.32
SYK P43405 1/20 0.31
SIGMAR1 Q99720 3/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 2/20 0.31

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
SCHEMBL7496412 0.90 HDAC4 (0.37) POLBHDAC3HDAC4HDAC7HDAC9
SCHEMBL3686846 0.89 SIGMAR1 (0.36) POLBHDAC3HDAC4HDAC7HDAC9
SCHEMBL7496417 0.88 RIPK1 (0.38) HDAC3HDAC4HDAC7HDAC9HDAC5
SCHEMBL7501903 0.87 GRIN2B (0.37) HDAC3HDAC4HDAC7HDAC9HDAC5
SCHEMBL7496848 0.87 HDAC3 (0.34) HDAC3HDAC4HDAC7HDAC9HDAC5
SCHEMBL7493612 0.86 HDAC4 (0.35) HDAC4TYRO3MERTK
SCHEMBL3704630 0.85 RIPK1 (0.37) HDAC3HDAC4HDAC7HDAC9HDAC5
SCHEMBL3709595 0.85 HDAC4 (0.35) HDAC4PKMRXFP1TYRO3MERTK
SCHEMBL3692325 0.84 KDM5A (0.36) HDAC3HDAC4HDAC7HDAC9HDAC5
SCHEMBL7501114 0.84 GHSR (0.37) MAPK1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 POLB 1134/4885HDAC3 501/4885HDAC4 1478/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 POLB 1134/4885HDAC3 501/4885HDAC4 1478/4885

“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.