SCHEMBL3064433

SCHEMBL3064433

NC(=O)c1csc(C2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
LCAT P04180 2/20 0.45
SCD O00767 1/20 0.41
RPS6KB1 P23443 2/20 0.38
AKT1 P31749 1/20 0.36
MLYCD O95822 1/20 0.36
GRM2 Q14416 4/20 0.36
TAF1 P21675 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
ACACB O00763 1/20 0.35
CCR2 P41597 2/20 0.35
SPR P35270 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL27709420 0.91 LCAT (0.46) PARP1LCATRPS6KB1TAF1CECR2
SCHEMBL3065897 0.75 HRH3 (0.46) LCAT
SCHEMBL460244 0.73 NFKB1 (0.58) NFKB1NFKB2RELA
SCHEMBL12467241 0.72 HTR2B (0.42) SCDSPRLMNA
SCHEMBL16648636 0.72 ITGB2 (0.47) PARP1LCATACACBCCR2KDM4E
SCHEMBL28020356 0.72 SPR (0.44) PARP1SCDSPR
SCHEMBL3061483 0.71 F10 (0.38) SCDSPRLMNA
SCHEMBL8512452 0.71 GAA (0.49) SPRKDM4ELMNA
Hydrochloric Acid SCHEMBL2273587 0.70 KDR (0.45) PARP1LCATRPS6KB1TAF1CECR2
SCHEMBL18711312 0.70 SPR (0.47) PARP1SPR

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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2009-12-10 US disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 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 (3 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB PARP1 1171/4885LCAT 4202/4885SCD 4302/4885
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE IL2, IL17A, IFNG PARP1 4081/4885LCAT 3794/4885SCD 3690/4885
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB PARP1 4331/4885LCAT 3997/4885SCD 4538/4885

“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.