Sugi Predict

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SCHEMBL6475508

SCHEMBL6475508

Cc1ccc2[nH]c([S+]([O-])Cc3cccc(N)n3)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 4/20 0.35
▸ NOS1 P29475 3/20 0.35
▸ MAPT P10636 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GFER P55789 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33

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
SCHEMBL6476047 0.87 FABP6 (0.42) NOS2NOS1MAPTKMT2AMEN1
SCHEMBL6476737 0.86 BACE1 (0.35) BACE1ATP4AATP4BLOXL2
SCHEMBL6474848 0.85 BACE1 (0.41) NOS2NOS1MAPTKMT2ACYP1A2
SCHEMBL6483304 0.84 BACE1 (0.36) NOS1BACE1HSD17B10NOS3
SCHEMBL6474955 0.84 ALDH1A1 (0.41) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6481716 0.83 CYP3A4 (0.39) MAPTKMT2ACYP1A2CYP2C9CYP2C19
Water SCHEMBL6475545 0.83 BACE1 (0.36) BACE1HSD17B10
SCHEMBL6482757 0.83 BACE1 (0.36) MAPTTP53BACE1ATP4AATP4B
SCHEMBL6872820 0.82 CYP1A2 (0.46) MAPTCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL6475517 0.81 PDE10A (0.39) NOS1BACE1NOS3

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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 — — WO claimed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 — — US 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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 — — WO disclosed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 — — 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 NOS2 2004/4885NOS1 1323/4885MAPT 4881/4885

“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.