SCHEMBL3794236

SCHEMBL3794236

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.36
ICAM1 P05362 6/20 0.36
ITGAL P20701 6/20 0.36
ERN1 O75460 1/20 0.34
ABCB1 P08183 1/20 0.34
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
NPC1 O15118 1/20 0.33
PDE4B Q07343 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
GRIN2B Q13224 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RORC P51449 1/20 0.32
USP2 O75604 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
SCHEMBL3784084 0.91 GPR119 (0.36) ERN1ABCB1TYRO3MERTKPDE4B
SCHEMBL3787981 0.89 NLRP3 (0.35) ABCB1NLRP3KMT2ARORC
SCHEMBL3786680 0.87 ATM (0.36) ERN1ABCB1KMT2ARORC
SCHEMBL1583818 0.85 P2RX7 (0.45) ABCB1
SCHEMBL3696503 0.85 HDAC4 (0.44) ABCB1KMT2AHDAC4USP2
SCHEMBL3692507 0.85 SLC6A7 (0.45) KMT2A
SCHEMBL3793710 0.85 KDM1A (0.38) ERN1TYRO3MERTKUSP2
SCHEMBL3788622 0.84 EPHX2 (0.41) ITGB2ICAM1ITGALTYRO3MERTK
SCHEMBL3791014 0.84 L3MBTL3 (0.39) KMT2A
SCHEMBL3688384 0.84 TSHR (0.39) ABCB1HDAC4USP2

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 ITGB2 4359/4885ICAM1 4397/4885ITGAL 4324/4885

“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.