SCHEMBL5545871

SCHEMBL5545871

CC(C)(CO)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)c(F)c3)cc2[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
GABRA5 P31644 1/20 0.36
PDPK1 O15530 2/20 0.35
KDM5A P29375 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PTGES O14684 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ULK1 O75385 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PARP1 P09874 3/20 0.33
PDE2A O00408 1/20 0.32
TYK2 P29597 1/20 0.32
PDE4D Q08499 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
SCHEMBL5548096 0.91 TDP1 (0.46) TDP1KDM5AMEN1KMT2AKDM4E
SCHEMBL5539148 0.86 TDP1 (0.38) TDP1KDM5AMEN1KMT2APTGES
SCHEMBL16009913 0.85 PTGES (0.37) TDP1KDM5AMEN1KMT2APTGES
SCHEMBL5546928 0.82 TDP1 (0.36) TDP1KDM5APTGESKDM4EULK1
SCHEMBL5546963 0.78 CNR2 (0.47) TDP1KDM5AMEN1KMT2AKDM4E
SCHEMBL5545516 0.78 KDM5A (0.47) GABRA5KDM5AKDM4E
SCHEMBL5538646 0.77 TDP1 (0.47) TDP1KDM5AMEN1KMT2AKDM4E
SCHEMBL5548065 0.76 KDM5A (0.49) TDP1KDM5AMEN1KMT2AKDM4E
SCHEMBL15163541 0.76 TDP1 (0.48) TDP1KDM5AMEN1KMT2AKDM4E
SCHEMBL15163542 0.75 TDP1 (0.48) TDP1KDM5AMEN1KMT2AKDM4E

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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TDP1 575/4885GABRA5 2822/4885PDPK1 1675/4885

“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.