SCHEMBL6481902

SCHEMBL6481902

CN(C)c1ncccc1CSc1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
HPGD P15428 4/20 0.59
ALDH1A1 P00352 3/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2E1 P05181 1/20 0.59
CYP2C8 P10632 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2B6 P20813 1/20 0.59
CYP2C19 P33261 1/20 0.59
BCHE P06276 1/20 0.51
TP53 P04637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51

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
SCHEMBL6483534 0.82 RAB9A (0.64) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10870160 0.81 RAB9A (0.54) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10333625 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
Water SCHEMBL6475896 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
Water SCHEMBL6475900 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10333179 0.76 CYP1A2 (0.64) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9678196 0.76 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL10915532 0.76 RAB9A (0.53) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9695295 0.75 TP53 (0.67) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9678752 0.74 RAB9A (0.61) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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 5 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
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 US disclosed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 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 NPC1 363/4885RAB9A 486/4885SMN1; SMN2 4616/4885

“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.