SCHEMBL6474777

SCHEMBL6474777

CCOC(=O)c1ccc(N)c(CSc2nc3ccccc3[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 3/20 0.55
RECQL P46063 1/20 0.55
POLB P06746 1/20 0.52
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
HDAC1 Q13547 2/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 2/20 0.49
MAPK1 P28482 1/20 0.48
HPGD P15428 4/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL6484277 0.86 CYP2E1 (0.49) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL6480538 0.80 ATP4A (0.57) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL6482974 0.80 MAPT (0.47) RAB9ANPC1SMN1; SMN2LMNAPOLB
Water SCHEMBL6475671 0.79 MAPT (0.46) RAB9ANPC1SMN1; SMN2LMNAPOLB
Water SCHEMBL6475680 0.79 MAPT (0.46) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL9261397 0.78 MAPT (0.66) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL5482925 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNARECQL
Hydrochloric Acid SCHEMBL6481780 0.76 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL11684421 0.76 CYP1A2 (0.67) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL11684418 0.76 CYP1A2 (0.59) RAB9ANPC1SMN1; SMN2LMNARECQL

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
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 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 RAB9A 486/4885NPC1 363/4885SMN1; 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.