SCHEMBL7923747

SCHEMBL7923747

CCOCCOc1ccnc(-c2nc3ccccc3n2[S+](C)[O-])c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ NCF1 P14598 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MYC P01106 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL8553022 0.99 KDM4E (0.40) KDM4ENCF1HSD17B10LMNARAB9A
SCHEMBL8668983 0.87 MEN1 (0.36) KDM4EHSD17B10LMNARAB9ASMN1; SMN2
SCHEMBL8672637 0.87 SMN1; SMN2 (0.37) KDM4EHSD17B10LMNARAB9ASMN1; SMN2
SCHEMBL8439253 0.86 MAPT (0.41) KDM4EHSD17B10LMNARAB9ASMN1; SMN2
SCHEMBL8633727 0.85 MAPT (0.41) KDM4EHSD17B10LMNARAB9ASMN1; SMN2
SCHEMBL8670481 0.85 ALDH1A1 (0.36) KDM4EHSD17B10LMNARAB9ASMN1; SMN2
SCHEMBL8553044 0.85 MAPT (0.32) LMNASMN1; SMN2TSHRMAPTALDH1A1
SCHEMBL8550788 0.84 RPS6KA5 (0.37) KDM4ENCF1HSD17B10SMN1; SMN2MAPT
SCHEMBL8550417 0.84 RXRA (0.34) NCF1SMN1; SMN2ALDH1A1HTT
SCHEMBL1559770 0.83 MAPT (0.50) KDM4EHSD17B10LMNARAB9ATSHR

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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 — — US claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 — — WO claimed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 — — US disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 — — WO 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 KDM4E 1518/4885NCF1 2385/4885HSD17B10 954/4885

“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.

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