SCHEMBL17880528

SCHEMBL17880528

O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NCCCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
KCNQ3 O43525 2/20 0.49
KCNQ2 O43526 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
PRKCA P17252 1/20 0.45
GRK2 P25098 1/20 0.45
FADS1 O60427 1/20 0.43
KMT2A Q03164 2/20 0.43
KDM4D Q6B0I6 1/20 0.43
MEN1 O00255 1/20 0.43
MAOB P27338 1/20 0.43
HTR1A P08908 1/20 0.43
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 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
SCHEMBL17880525 0.94 NPC1 (0.57) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL17880547 0.89 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL17880544 0.88 MAPT (0.50) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL17880554 0.87 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL17880532 0.86 MEN1 (0.53) NPC1RAB9AKCNQ3KCNQ2L3MBTL1
SCHEMBL17880500 0.84 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL17880533 0.84 MEN1 (0.49) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL19380180 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL17880552 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL17880531 0.83 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2KCNQ3KCNQ2

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 4 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
US-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS MERCK SHARP & DOHME LLC 2015-06-18 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 (3 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 NPC1 798/4885RAB9A 2638/4885SMN1; SMN2 4649/4885
US-20150166486-A1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINEASE (SYK) INHIBITORS SYK, ZAP70, TYRO3 NPC1 4541/4885RAB9A 3346/4885SMN1; SMN2 4108/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 NPC1 798/4885RAB9A 2638/4885SMN1; SMN2 4649/4885

“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.