SCHEMBL6481832

SCHEMBL6481832

Nc1nc(SCc2ccccn2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.57
PDE7A Q13946 1/20 0.50
CYP1A2 P05177 3/20 0.48
CYP2E1 P05181 3/20 0.48
CYP2C8 P10632 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2B6 P20813 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
DCPS Q96C86 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HBB P68871 1/20 0.43

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
SCHEMBL9383183 0.83 POLB (0.53) PDE7ACYP1A2CYP2E1CYP2C8CYP2D6
SCHEMBL9756602 0.77 RAB9A (0.60) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL2462144 0.77 RAB9A (0.52) ABCB1SMN1; SMN2NPC1RAB9ADCPS
SCHEMBL6638720 0.76 METAP2 (0.44) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6636431 0.75 METAP2 (0.44) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL8140855 0.74 SMN1; SMN2 (0.41) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6639863 0.74 NPC1 (0.61) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL8134818 0.73 SMN1; SMN2 (0.40) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL6636454 0.73 SMN1; SMN2 (0.49) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10562402 0.72 NPC1 (0.59) CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9

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 ABCB1 172/4885PDE7A 628/4885CYP1A2 2281/4885

“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.