SCHEMBL3786680

SCHEMBL3786680

CS(=O)(=O)N1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.35
RORC P51449 1/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN9A Q15858 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
ERN1 O75460 1/20 0.33
MAPK1 P28482 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL3787981 0.97 NLRP3 (0.35) ATMGAAALDH1A1HTTRORC
SCHEMBL3794236 0.87 ITGB2 (0.36) RORCKMT2AERN1ABCB1
SCHEMBL3797177 0.86 TYRO3 (0.39) DPP4DPP8DPP9
SCHEMBL3784873 0.85 CCR2 (0.32) ALDH1A1HTTERN1
SCHEMBL3687599 0.85 SCN9A (0.36) SCN9ADPP4DPP8DPP9ERN1
SCHEMBL1583818 0.84 P2RX7 (0.45) SCN9AABCB1
SCHEMBL3784084 0.84 GPR119 (0.36) GAAALDH1A1KMT2ASCN9AERN1
SCHEMBL3692507 0.84 SLC6A7 (0.45) ALDH1A1HTTKMT2A
SCHEMBL3696503 0.84 HDAC4 (0.44) ALDH1A1HTTKMT2ATSHRNPSR1
SCHEMBL3793710 0.84 KDM1A (0.38) SCN9AERN1

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
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
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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 ATM 4319/4885GAA 1927/4885ALDH1A1 1337/4885

“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.