SCHEMBL4593950

SCHEMBL4593950

O=c1c2ccccc2nc2n1OCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
BCHE P06276 1/20 0.53
CFTR P13569 1/20 0.53
ALOX15 P16050 1/20 0.53
ACHE P22303 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
GOPC Q9HD26 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.43

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
Deoxyvasicinone SCHEMBL29359475 0.69 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10TDP1USP2
Deoxyvasicinone SCHEMBL864139 0.69 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10TDP1USP2
SCHEMBL29618881 0.68 MEN1 (0.97) ALDH1A1KDM4EHSD17B10TDP1USP2
SCHEMBL5511965 0.68 MEN1 (0.97) ALDH1A1KDM4EHSD17B10TDP1USP2
SCHEMBL6288230 0.67 MEN1 (1.00) ALDH1A1KDM4EHSD17B10TDP1USP2
SCHEMBL202424 0.66 KDM4E (0.38) ALDH1A1KDM4EHSD17B10TDP1USP2
SCHEMBL15160572 0.66 ALOX15 (0.52) ALDH1A1KDM4EHSD17B10TDP1USP2
SCHEMBL202998 0.65 MEN1 (0.38) ALDH1A1KDM4EHSD17B10TDP1USP2
SCHEMBL11116011 0.65 KMT2A (1.00) ALDH1A1KDM4EHSD17B10TDP1USP2
SCHEMBL926740 0.64 CASP1 (0.60) ALDH1A1KDM4EHSD17B10TDP1USP2

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
EP-1807071-A4 ANTIPYRETIC COMPOSITIONS AND METHODS DOV PHARMACEUTICAL INC (US) 2008-01-09 EP disclosed
EP-1807071-A2 ANTIPYRETIC COMPOSITIONS AND METHODS DOV Pharmaceutical Inc. (US) 2007-07-18 EP disclosed
US-20060100263-A1 Antipyretic compositions and methods DOV PHARMACEUTICAL, INC. 2006-05-11 US disclosed
WO-2006050520-A2 ANTIPYRETIC COMPOSITIONS AND METHODS DOV PHARMACEUTICAL, INC. (US) 2006-05-11 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-20060100263-A1 Antipyretic compositions and methods GABRE, HTR5A, TPH2 ALDH1A1 1368/4885KDM4E 4580/4885HSD17B10 1275/4885

“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.