SCHEMBL3784873

SCHEMBL3784873

CN(C1CN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.32
ERN1 O75460 1/20 0.32
CHRNA4 P43681 2/20 0.32
PTGS2 P35354 1/20 0.31
CACNA1B Q00975 1/20 0.31
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL3790520 0.89
SCHEMBL13261949 0.88 ERN1 (0.32) ERN1CHRNA4TYRO3MERTKHCRTR1
SCHEMBL3687599 0.88 SCN9A (0.36) ERN1CHRNA4TYRO3MERTKHCRTR1
SCHEMBL3704225 0.87 DDR1 (0.34) ERN1CHRNA4TYRO3MERTK
SCHEMBL3690542 0.86 ERN1 (0.35) ERN1CHRNA4TYRO3MERTKHCRTR1
SCHEMBL3786680 0.85 ATM (0.36) ERN1ALDH1A1HTT
Hydrochloric Acid SCHEMBL3689564 0.85 ERN1 (0.34) ERN1CHRNA4TYRO3MERTKHCRTR1
SCHEMBL3691649 0.85 RBP4 (0.34) ERN1CHRNA4TYRO3MERTK
SCHEMBL3708558 0.85 TYRO3 (0.32) ERN1CHRNA4TYRO3MERTK
SCHEMBL3683434 0.84 TYRO3 (0.34) ERN1CHRNA4TYRO3MERTKHCRTR1

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 6 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
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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 CCR2 1621/4885ERN1 237/4885CHRNA4 4781/4885

“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.