SCHEMBL17880544

SCHEMBL17880544

COc1ccc(CCCNc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR3C2 P08235 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42

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
SCHEMBL17880545 0.92 NR3C2 (0.44) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL17880528 0.88 NPC1 (0.55) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19380115 0.85 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL17880554 0.85 NPC1 (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17803542 0.84 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL17880500 0.84 ALDH1A1 (0.48) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17880533 0.84 MEN1 (0.49) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL17880532 0.84 MEN1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL17880501 0.83 SMN1; SMN2 (0.47) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17880525 0.82 NPC1 (0.57) MAPTNPC1RAB9ASMN1; SMN2MEN1

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 4663/4885NPC1 798/4885RAB9A 2638/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 MAPT 4663/4885NPC1 798/4885RAB9A 2638/4885

“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.