SCHEMBL7089405

SCHEMBL7089405

CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.75
GAA P10253 1/20 0.75
MAPT P10636 9/20 0.59
ALDH1A1 P00352 6/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.53
CLK1 P49759 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49

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
SCHEMBL2027161 0.86 RAB9A (1.00) RAB9AGAAMAPTALDH1A1MAPK1
SCHEMBL12875862 0.83 RAB9A (0.59) RAB9AGAAMAPTALDH1A1MEN1
SCHEMBL14564380 0.82 RAB9A (0.58) RAB9AGAAMAPTALDH1A1MEN1
SCHEMBL6181984 0.82 EIF4E (0.56) RAB9AGAAMAPTALDH1A1MEN1
SCHEMBL2328911 0.81 L3MBTL1 (0.74) RAB9AGAAMAPTALDH1A1MAPK1
SCHEMBL4726197 0.81 RAB9A (0.60) RAB9AGAAMAPTALDH1A1MEN1
SCHEMBL7089339 0.81 GAA (0.51) RAB9AGAAMAPTALDH1A1MEN1
SCHEMBL2080725 0.80 RAB9A (0.68) RAB9AGAAMAPTALDH1A1MEN1
SCHEMBL5342686 0.80 SMN1; SMN2 (0.60) RAB9AGAAMAPTALDH1A1MEN1
SCHEMBL6432573 0.80 MAPT (0.65) RAB9AGAAMAPTALDH1A1MAPK1

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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors BAUER PAUL H (US) 2003-07-31 US disclosed
EP-0300400-B1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-16 EP disclosed
US-5010093-A Vasodilators; cardiovascular disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-04-23 US disclosed
US-4923886-A VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-08 US disclosed
EP-0300400-A1 Nitric acid ester derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors FBP1, HK1, G6PC1 RAB9A 1224/4885GAA 78/4885MAPT 3795/4885

“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.