SCHEMBL17880532

SCHEMBL17880532

O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NCCc2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
KCNQ3 O43525 3/20 0.49
KCNQ2 O43526 3/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTR7 P34969 1/20 0.45
MAOB P27338 3/20 0.44
MAP2K7 O14733 1/20 0.44
AURKA O14965 1/20 0.44
NTRK1 P04629 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CXCR2 P25025 1/20 0.43

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 0.95 NPC1 (0.49) MEN1KMT2AGAAMAPTPLA2G1B
SCHEMBL17880500 0.92 ALDH1A1 (0.48) MEN1KMT2AGAAMAPTPLA2G1B
SCHEMBL17880533 0.92 MEN1 (0.49) MEN1KMT2AGAAMAPTPLA2G1B
SCHEMBL17880525 0.92 NPC1 (0.57) MEN1KMT2AGAAMAPTKCNQ3
SCHEMBL17880534 0.91 MAPT (0.48) MEN1KMT2AGAAMAPTKCNQ3
SCHEMBL17880501 0.90 SMN1; SMN2 (0.47) MEN1KMT2AGAAMAPTPLA2G1B
SCHEMBL17880548 0.89 SIRT2 (0.46) MEN1KMT2AGAAMAPTPLA2G1B
SCHEMBL17880507 0.89 PTGDR2 (0.47) KCNQ3KCNQ2KCNE1KCNQ1L3MBTL1
SCHEMBL17880557 0.89 PTGDR2 (0.46) MEN1KMT2AGAAMAPTPLA2G1B
SCHEMBL17880556 0.88 KCNQ3 (0.48) MEN1KMT2AMAPTKCNQ3KCNQ2

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 1585/4885GAA 2393/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 MEN1 3975/4885KMT2A 1585/4885GAA 2393/4885

“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.