SCHEMBL18407348

SCHEMBL18407348

CC(C)(C)c1ncc(C(=O)Nc2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 2/20 0.48
ALOX15 P16050 1/20 0.48
CDK2 P24941 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNK9 Q9NPC2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PTPN11 Q06124 1/20 0.44
HTT P42858 1/20 0.44
NSD2 O96028 1/20 0.44
POLB P06746 1/20 0.44
NAMPT P43490 1/20 0.44
ROCK1 Q13464 1/20 0.44
PTPN1 P18031 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
SCHEMBL18410443 0.80 ROCK1 (0.62) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL18233010 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL18236213 0.78 SCN5A (0.52) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL18235552 0.75 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL18407350 0.74 PTPN1 (0.54) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL18407355 0.73 LMNA (0.48) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL18233039 0.72 PTPN1 (0.51) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL20173265 0.70 MMP2 (0.51) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL4250752 0.69 KCNK9 (0.81) NPC1RAB9ASMN1; SMN2TP53KCNK9
SCHEMBL18236201 0.69 PTPN1 (0.55) NPC1RAB9ASMN1; SMN2TP53LMNA

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-10301255-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 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-10301255-B2 Hepatitis B antiviral agents HAVCR2, ZC3HAV1, SLC10A1 NPC1 607/4885RAB9A 1332/4885SMN1; SMN2 4641/4885
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 NPC1 607/4885RAB9A 1332/4885SMN1; SMN2 4641/4885

“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.