SCHEMBL17880546

SCHEMBL17880546

O=C(Nc1ccc(F)c(F)c1)c1ccnc(NCCCc2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
CES1 P23141 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KCNQ3 O43525 4/20 0.43
KCNQ2 O43526 4/20 0.43
NAMPT P43490 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KDM4D Q6B0I6 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
CYP1A2 P05177 1/20 0.41
APP P05067 1/20 0.40
GRM4 Q14833 1/20 0.40

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
SCHEMBL17880547 0.91 NPC1 (0.54) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL19380189 0.83 NPC1 (0.46) NPC1RAB9ACES1KDM4EGAA
SCHEMBL17803614 0.82 NPC1 (0.46) NPC1RAB9ACES1KDM4EGAA
SCHEMBL17880545 0.80 NR3C2 (0.44) NPC1RAB9AGAAALDH1A1
SCHEMBL17880534 0.79 MAPT (0.48) NPC1RAB9AKDM4EGAAKCNQ3
SCHEMBL17880555 0.79 RAB9A (0.46) NPC1RAB9AKDM4EALDH1A1KCNQ3
SCHEMBL17880528 0.79 NPC1 (0.55) NPC1RAB9AALDH1A1KCNQ3KCNQ2
SCHEMBL17880556 0.78 KCNQ3 (0.48) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL17880511 0.78 ALDH1A1 (0.51) NPC1RAB9AALDH1A1KCNQ3KCNQ2
SCHEMBL17880539 0.76 MAPK14 (0.55) NPC1RAB9ACES1KCNQ3KCNQ2

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-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-9765050-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2017-09-19 US disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (2 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-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment HAVCR2, HCCS, NR1H4 NPC1 798/4885RAB9A 2638/4885CES1 210/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 NPC1 798/4885RAB9A 2638/4885CES1 210/4885

“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.