SCHEMBL6475945

SCHEMBL6475945

Cc1cc2nc(SCc3ccccc3N)[nH]c2cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.56
ATP4B P51164 1/20 0.56
HRH4 Q9H3N8 1/20 0.51
OPRL1 P41146 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2E1 P05181 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C8 P10632 2/20 0.45

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
SCHEMBL6475988 0.86 HPGD (0.50) ATP4AATP4BOPRL1SMN1; SMN2HPGD
SCHEMBL15693654 0.84 SMN1; SMN2 (0.69) HRH4OPRL1SMN1; SMN2HPGDNPC1
SCHEMBL9287032 0.84 SMN1; SMN2 (0.60) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL9677090 0.82 HRH4 (0.55) HRH4OPRL1SMN1; SMN2HPGDNPC1
SCHEMBL6480868 0.82 NPC1 (0.69) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL5484015 0.81 ALDH1A1 (0.64) HRH4OPRL1SMN1; SMN2HPGDNPC1
SCHEMBL15693644 0.81 NPC1 (0.66) HRH4OPRL1SMN1; SMN2NPC1RAB9A
Bromide SCHEMBL10768702 0.81 NPC1 (0.68) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL6475390 0.81 RAB9A (0.50) ATP4AATP4BOPRL1SMN1; SMN2HPGD
SCHEMBL6475400 0.80 CYP2E1 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1NFKB1

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 3 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
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 EP 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 ATP4A 1/4885ATP4B 8/4885HRH4 180/4885

“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.