SCHEMBL17880503

SCHEMBL17880503

CC(C)CNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
MAPK14 Q16539 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MAPT P10636 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL17880539 0.90 MAPK14 (0.55) LMNAMAPK14SMN1; SMN2NPC1RAB9A
SCHEMBL17880531 0.88 SMN1; SMN2 (0.48) LMNAKDM4ETSHRSMN1; SMN2NPC1
SCHEMBL17880535 0.85 NPC1 (0.51) LMNATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL17880501 0.83 SMN1; SMN2 (0.47) LMNAKDM4ETSHRSMN1; SMN2NPC1
SCHEMBL17880537 0.83 NPC1 (0.49) LMNATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL19380088 0.83 NPC1 (0.51) LMNAKDM4ETSHRSMN1; SMN2NPC1
SCHEMBL19380107 0.83 SMN1; SMN2 (0.48) LMNAKDM4ETSHRSMN1; SMN2NPC1
SCHEMBL17880523 0.82 ALDH1A1 (0.53) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL17803506 0.82 SMN1; SMN2 (0.47) LMNAKDM4ETSHRSMN1; SMN2NPC1
SCHEMBL17803496 0.82 SMN1; SMN2 (0.50) LMNAKDM4ETSHRSMN1; SMN2NPC1

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 LMNA 2643/4885MAPK14 3586/4885KDM4E 1200/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 LMNA 2643/4885MAPK14 3586/4885KDM4E 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.