Sugi Predict

Sugi Predict / Compounds / SCHEMBL6480385

SCHEMBL6480385

SCHEMBL6480385

Nc1ccc(C[S+]([O-])c2nc3ccccc3[nH]2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MASP2 O00187 1/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ PLAUR Q03405 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ MAPT P10636 4/20 0.35

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
Water SCHEMBL6483418 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL636639 0.81 GAA (0.50) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL10617538 0.80 DDAH1 (0.41) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL27990243 0.79 KDM4E (0.47) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL31325599 0.79 NPC1 (0.51) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL10867808 0.79 GAA (0.43) ALDH1A1MEN1KMT2AGAANPC1
SCHEMBL6483278 0.78 MAPT (0.55) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL6475609 0.77 ATP4A (0.50) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL6474955 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMASP2NUDT1
Water SCHEMBL8401632 0.76 ATP4A (0.49) ALDH1A1MEN1KMT2AMASP2NUDT1

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 7 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
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 — — 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-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 — — US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 — — US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 — — 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 ALDH1A1 2148/4885MEN1 4836/4885KMT2A 2172/4885

“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.