SCHEMBL17880556

SCHEMBL17880556

O=C(Nc1ccc(F)c(F)c1)c1ccnc(NCCc2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.48
KCNQ2 O43526 5/20 0.48
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAP2K7 O14733 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 2/20 0.43
NTRK1 P04629 1/20 0.43
MAPK1 P28482 1/20 0.42
CNR1 P21554 1/20 0.42
P2RX3 P56373 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL17880554 0.93 NPC1 (0.49) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL17880534 0.93 MAPT (0.48) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL17880511 0.91 ALDH1A1 (0.51) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL17880508 0.90 MAPT (0.44) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL17880549 0.88 KCNQ3 (0.46) KCNQ3KCNQ2NPC1RAB9ACNR1
SCHEMBL17880505 0.88 ESRRG (0.47) KCNQ3KCNQ2NPC1RAB9AMAPT
SCHEMBL17880532 0.88 MEN1 (0.53) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL17880555 0.86 RAB9A (0.46) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL17880500 0.86 ALDH1A1 (0.48) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL17880533 0.86 MEN1 (0.49) KCNQ3KCNQ2KCNE1KCNQ1NPC1

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 KCNQ3 4672/4885KCNQ2 4627/4885KCNE1 4808/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 KCNQ3 4672/4885KCNQ2 4627/4885KCNE1 4808/4885

“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.