SCHEMBL7936342

SCHEMBL7936342

C=CCOc1c2c([nH]c(=S)c1C)C(c1nc3ccccc3[nH]1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KCNN3 Q9UGI6 1/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL10671585 0.70 KMT2A (0.34) POLBNPC1RAB9ASMN1; SMN2AR
SCHEMBL6475145 0.69 DDB1 (0.41) POLBNPC1RAB9ASMN1; SMN2AR
SCHEMBL10375560 0.67 WDR5 (0.33) NPC1RAB9AHDAC6KCNN3AR
SCHEMBL10575979 0.66 PDE10A (0.36) POLBKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4156000 0.64 CYP2D6 (0.55) MAPT
SCHEMBL29989874 0.63 MEN1 (0.50) POLBKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28650482 0.63 MEN1 (0.50) POLBKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2674802 0.58 HTR2B (0.55) POLBKDM4ENPC1RAB9AKMT2A
SCHEMBL6756134 0.58 NPC1 (0.59) POLBKDM4ENPC1RAB9AKMT2A
SCHEMBL2276872 0.58 ALDH1A1 (0.59) POLBKDM4ENPC1RAB9ASMN1; SMN2

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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US claimed

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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 POLB 518/4885KDM4E 1518/4885NPC1 363/4885

“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.