SCHEMBL17880507

SCHEMBL17880507

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ESRRG P62508 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NR1H4 Q96RI1 2/20 0.43
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
AURKA O14965 1/20 0.43
NTRK1 P04629 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
RAPGEF3 O95398 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TRPV1 Q8NER1 2/20 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
SCHEMBL17880557 0.94 PTGDR2 (0.46) PTGDR2NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL17880505 0.92 ESRRG (0.47) NPC1RAB9ASMN1; SMN2ESRRGCNR1
SCHEMBL17880554 0.90 NPC1 (0.49) PTGDR2NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL17880500 0.90 ALDH1A1 (0.48) PTGDR2NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL17880533 0.90 MEN1 (0.49) PTGDR2NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL17880532 0.89 MEN1 (0.53) NPC1RAB9AL3MBTL1CNR1KCNQ3
SCHEMBL17880501 0.88 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1KCNQ3
SCHEMBL17880525 0.88 NPC1 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1KCNQ3
SCHEMBL17880548 0.85 SIRT2 (0.46) NPC1RAB9AL3MBTL1CNR1KCNQ3
SCHEMBL17880537 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1KCNQ3

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 PTGDR2 2845/4885NPC1 798/4885RAB9A 2638/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 PTGDR2 2845/4885NPC1 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.