SCHEMBL17880555

SCHEMBL17880555

O=C(Nc1ccc(F)c(F)c1)c1ccnc(NCCc2ccc3ccccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
KDM4E B2RXH2 2/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
NR1H4 Q96RI1 1/20 0.43
RIOK2 Q9BVS4 4/20 0.43
GSK3A P49840 2/20 0.43
MAPK10 P53779 2/20 0.43
MAOB P27338 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
MCHR1 Q99705 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 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
SCHEMBL17880552 0.92 NPC1 (0.49) RAB9ANPC1KDM4ECASP3SENP7
SCHEMBL17880534 0.87 MAPT (0.48) RAB9ANPC1KDM4EKCNQ3KCNQ2
SCHEMBL17880556 0.86 KCNQ3 (0.48) RAB9ANPC1KCNQ3KCNQ2MEN1
SCHEMBL17880511 0.85 ALDH1A1 (0.51) RAB9ANPC1MAOBKCNQ3KCNQ2
SCHEMBL17880508 0.84 MAPT (0.44) RAB9ANPC1KCNQ3KCNQ2MEN1
SCHEMBL19380333 0.83 RAB9A (0.46) RAB9ANPC1KDM4ECASP3SENP7
SCHEMBL17803574 0.83 NPC1 (0.46) RAB9ANPC1KDM4ECASP3SENP7
SCHEMBL17880549 0.82 KCNQ3 (0.46) RAB9ANPC1GSK3AKCNQ3KCNQ2
SCHEMBL17880505 0.82 ESRRG (0.47) RAB9ANPC1NR1H4KCNQ3KCNQ2
SCHEMBL17880525 0.80 NPC1 (0.57) RAB9ANPC1KDM4EMAOBKCNQ3

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 RAB9A 2638/4885NPC1 798/4885KDM4E 1200/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 RAB9A 2638/4885NPC1 798/4885KDM4E 1200/4885

“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.