SCHEMBL18236201

SCHEMBL18236201

CNc1ccc(C(=O)Nc2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.55
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.49
CDK2 P24941 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.48
NSD2 O96028 1/20 0.48
SIRT1 Q96EB6 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL18233039 0.83 PTPN1 (0.51) PTPN1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13730301 0.79 PTPN1 (0.58) PTPN1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL18236156 0.78 ALOX15 (0.45) NPC1SMN1; SMN2ALOX15HTTHDAC2
SCHEMBL18236197 0.76 RAB9A (0.49) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL18236213 0.76 SCN5A (0.52) PTPN1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8748881 0.76 KDM4E (0.44) SMN1; SMN2LMNAALOX15KDM4EALDH1A1
SCHEMBL18407350 0.75 PTPN1 (0.54) PTPN1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL31265767 0.75 PTPN1 (0.54) PTPN1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL31265766 0.75 PTPN1 (0.54) PTPN1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL31265773 0.75 PTPN1 (0.85) PTPN1NPC1RAB9ASMN1; SMN2TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 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 (1 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-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 PTPN1 659/4885NPC1 472/4885RAB9A 1062/4885

“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.