SCHEMBL3784084

SCHEMBL3784084

COC(=O)N1CCCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.36
ABCB1 P08183 2/20 0.36
TYRO3 Q06418 2/20 0.34
MERTK Q12866 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
RBP4 P02753 1/20 0.33
ALK Q9UM73 1/20 0.33
HDAC4 P56524 1/20 0.33
DGAT1 O75907 2/20 0.33
SCN9A Q15858 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ERN1 O75460 1/20 0.32
NOTUM Q6P988 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4B Q07343 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL3794236 0.91 ITGB2 (0.36) ABCB1TYRO3MERTKHDAC4ERN1
SCHEMBL3787981 0.87 NLRP3 (0.35) ABCB1ALDH1A1GAASCN9AKMT2A
SCHEMBL3786680 0.84 ATM (0.36) ABCB1ALDH1A1GAASCN9AERN1
SCHEMBL3793277 0.84 NOTUM (0.41) TYRO3MERTKALDH1A1ERN1NOTUM
SCHEMBL3693907 0.84 PDK2 (0.37) ABCB1TYRO3MERTKALDH1A1GAA
SCHEMBL1583818 0.83 P2RX7 (0.45) ABCB1SCN9ANOTUM
SCHEMBL3696503 0.83 HDAC4 (0.44) ABCB1ALDH1A1HDAC4MEN1KMT2A
SCHEMBL3692507 0.83 SLC6A7 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL3793710 0.82 KDM1A (0.38) TYRO3MERTKRBP4SCN9AERN1
SCHEMBL3788622 0.82 EPHX2 (0.41) TYRO3MERTKHDAC4KMT2A

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-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

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 GPR119 3009/4885ABCB1 721/4885TYRO3 4163/4885

“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.