SCHEMBL3793205

SCHEMBL3793205

COC(=O)C(NC(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 15/20 0.40
TACR2 P21452 3/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE2A O00408 2/20 0.40
LMNA P02545 1/20 0.36
HCRTR1 O43613 1/20 0.36

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
SCHEMBL3791566 0.91 MMP12 (0.38) TACR3MEN1KMT2APDE2AHCRTR1
SCHEMBL3784891 0.87 ERN1 (0.35) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL3797180 0.86 HCRTR1 (0.37) TACR3TACR2TSHRKDM4EMEN1
SCHEMBL3789797 0.86 HDAC1 (0.43) TACR3KDM4EALDH1A1
SCHEMBL3795937 0.85 TACR3 (0.36) TACR3KDM4EALDH1A1HSD17B10
SCHEMBL3793520 0.85 CNR2 (0.36)
SCHEMBL3786851 0.84 ERN1 (0.33) KDM4EALDH1A1HSD17B10PDE2AHCRTR1
SCHEMBL3789356 0.84 HDAC1 (0.37) HCRTR1HCRTR2
SCHEMBL3792225 0.83 TAS1R3 (0.41) MEN1KMT2A
SCHEMBL3786086 0.83 EGLN1 (0.38) KDM4EMEN1ALDH1A1KMT2APDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 TACR3 4059/4885TACR2 3659/4885TSHR 4542/4885

“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.