SCHEMBL17880533

SCHEMBL17880533

Cc1ccc(CCNc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 4/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
KCNQ3 O43525 2/20 0.45
KCNQ2 O43526 2/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
TP53 P04637 1/20 0.45
AURKA O14965 1/20 0.45
NTRK1 P04629 1/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL17880554 0.93 NPC1 (0.49) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL17880500 0.92 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL17880532 0.92 MEN1 (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL17880501 0.90 SMN1; SMN2 (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL17880525 0.90 NPC1 (0.57) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL17880523 0.90 ALDH1A1 (0.53) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL17880507 0.90 PTGDR2 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1PTGDR2
SCHEMBL17880557 0.89 PTGDR2 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17880548 0.88 SIRT2 (0.46) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL17880556 0.86 KCNQ3 (0.48) MEN1KMT2ANPC1RAB9ALMNA

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 MEN1 3975/4885KMT2A 1585/4885NPC1 798/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 MEN1 3975/4885KMT2A 1585/4885NPC1 798/4885

“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.