SCHEMBL6480697

SCHEMBL6480697

COC(=O)c1cccc(CSc2nc3ccccc3[nH]2)c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
SMN1; SMN2 Q16637 6/20 0.61
LMNA P02545 3/20 0.61
RECQL P46063 1/20 0.61
HTT P42858 1/20 0.60
PRMT5 O14744 4/20 0.60
WDR77 Q9BQA1 4/20 0.60
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 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
SCHEMBL5477242 0.90 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNARECQL
Water SCHEMBL6484487 0.80 SMN1; SMN2 (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
Water SCHEMBL6484483 0.80 SMN1; SMN2 (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL5479816 0.80 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL6484650 0.79 NPC1 (0.61) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL5485409 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL5475685 0.77 RAB9A (0.59) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL5478987 0.77 RAB9A (0.64) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL6482646 0.77 PRMT5 (0.43) RAB9ANPC1SMN1; SMN2LMNARECQL
SCHEMBL5472719 0.76 PRMT5 (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US 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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO 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.