SCHEMBL6505622

SCHEMBL6505622

O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.63
SLC6A5 Q9Y345 4/20 0.63
MAPT P10636 8/20 0.53
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
ALOX12 P18054 2/20 0.52
CYP2D6 P10635 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
CCR6 P51684 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PAX8 Q06710 1/20 0.50

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
SCHEMBL3918757 0.85 SLC6A9 (0.82) SLC6A9SLC6A5PAX8
SCHEMBL3485340 0.82 MAPT (0.68) SLC6A9SLC6A5MAPTALDH1A1CYP2C9
SCHEMBL29937559 0.82 MAPT (0.68) SLC6A9SLC6A5MAPTALDH1A1CYP2C9
SCHEMBL6508810 0.81 SLC6A9 (0.73) SLC6A9SLC6A5MAPTALDH1A1NPC1
SCHEMBL23850714 0.78 MAPT (0.62) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL31588237 0.78 MAPT (0.62) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL13687929 0.77 SLC6A9 (1.00) SLC6A9SLC6A5PAX8
SCHEMBL28322333 0.77 MAPT (0.69) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL15911569 0.76 MAPT (0.67) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL3932988 0.76 SLC6A9 (1.00) SLC6A9SLC6A5PAX8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US claimed
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO claimed
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 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-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT SLC6A9 4305/4885SLC6A5 2174/4885MAPT 10/4885

“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.