SCHEMBL17880508

SCHEMBL17880508

CC(C)c1ccc(CCNc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 2/20 0.44
HTR7 P34969 3/20 0.44
GSK3B P49841 2/20 0.43
KCNQ3 O43525 4/20 0.43
KCNQ2 O43526 4/20 0.43
P2RX3 P56373 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 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
SCHEMBL17880501 0.92 SMN1; SMN2 (0.47) MAPTTP53LMNAHTR7KCNQ3
SCHEMBL17880556 0.90 KCNQ3 (0.48) MAPTLMNAKCNQ3KCNQ2P2RX3
SCHEMBL17880511 0.89 ALDH1A1 (0.51) MAPTTP53LMNAGSK3BKCNQ3
SCHEMBL17880534 0.89 MAPT (0.48) MAPTHTR7GSK3BKCNQ3KCNQ2
SCHEMBL17880505 0.86 ESRRG (0.47) MAPTTP53LMNAKCNQ3KCNQ2
SCHEMBL17880549 0.84 KCNQ3 (0.46) GSK3BKCNQ3KCNQ2NPC1RAB9A
SCHEMBL17880555 0.84 RAB9A (0.46) KCNQ3KCNQ2NPC1RAB9AMEN1
SCHEMBL19380111 0.83 MAPT (0.44) MAPTTP53LMNAGSK3BKCNQ3
SCHEMBL17803584 0.83 MAPT (0.48) MAPTTP53LMNAGSK3BKCNQ3
SCHEMBL17880554 0.83 NPC1 (0.49) MAPTLMNAKCNQ3KCNQ2NPC1

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 MAPT 4663/4885TP53 1117/4885LMNA 2643/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 MAPT 4663/4885TP53 1117/4885LMNA 2643/4885

“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.