SCHEMBL6475591

SCHEMBL6475591

Cc1cccc2[nH]c(SCc3cccc(N)n3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
MPO P05164 1/20 0.44
MGAM O43451 5/20 0.44
GAA P10253 5/20 0.44
SI P14410 5/20 0.44
MGAM2 Q2M2H8 5/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2E1 P05181 3/20 0.43
CYP2C8 P10632 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2B6 P20813 3/20 0.43
CYP2C19 P33261 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALPL P05186 1/20 0.41

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 SCHEMBL6487553 0.99 ALDH1A1 (0.55) ALDH1A1TDP1MPOMGAMGAA
Water SCHEMBL6487551 0.99 ALDH1A1 (0.55) ALDH1A1TDP1MPOMGAMGAA
SCHEMBL6475249 0.86 CYP1A2 (0.46) ALDH1A1TDP1MPOCYP1A2CYP2E1
SCHEMBL11687629 0.83 CYP1A2 (0.65) ALDH1A1TDP1GAACYP1A2CYP2E1
SCHEMBL6476770 0.80 HRH4 (0.51) ALDH1A1MPOGAACYP1A2CYP2E1
SCHEMBL6483508 0.80 ATP4A (0.56) ALDH1A1TDP1GAAMAPTNPC1
SCHEMBL6475870 0.79 CYP1A2 (0.68) ALDH1A1CYP1A2CYP2E1CYP2C8CYP2D6
Water SCHEMBL6481699 0.78 CYP1A2 (0.66) ALDH1A1CYP1A2CYP2E1CYP2C8CYP2D6
Water SCHEMBL6481701 0.78 CYP1A2 (0.66) ALDH1A1CYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL6482003 0.76 CYP1A2 (0.56) ALDH1A1MPOCYP1A2CYP2E1CYP2C8

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-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 ALDH1A1 2148/4885TDP1 904/4885MPO 3139/4885

“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.