SCHEMBL2325482

SCHEMBL2325482

CCOP(=O)(O)CC(=O)c1cn(Cc2ccccc2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.45
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
SCD O00767 1/20 0.41
DGAT1 O75907 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.38
KLK1 P06870 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
MEN1 O00255 1/20 0.36
CETP P11597 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2325474 0.82 KLKB1 (0.47) KLKB1ALDH1A1LMNASCDDGAT1
SCHEMBL2328765 0.79 GAA (0.42) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL5733131 0.78 CREBBP (0.47) KLKB1ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL2325464 0.77 SMN1; SMN2 (0.51) ALDH1A1LMNAKMT2AMAPK1KDM4E
SCHEMBL6052401 0.76 ALDH1A1 (0.56) KLKB1ALDH1A1LMNASCDKMT2A
SCHEMBL14343418 0.75 KLKB1 (0.53) KLKB1ALDH1A1LMNASCDKMT2A
SCHEMBL720425 0.74 KLKB1 (0.53) KLKB1ALDH1A1LMNASCDKMT2A
SCHEMBL20798456 0.73 KLKB1 (0.52) KLKB1ALDH1A1LMNASCDKMT2A
SCHEMBL1549244 0.72 KMT2A (0.48) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL2327207 0.72 ALDH1A1 (0.41) KLKB1ALDH1A1LMNADGAT1KMT2A

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
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 KLKB1 336/4885ALDH1A1 91/4885LMNA 2625/4885

“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.