SCHEMBL2328989

SCHEMBL2328989

COc1cc(C(=O)CP(=O)(OC)OC)c(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
PYGL P06737 4/20 0.40
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HMGCR P04035 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2322045 0.88 POLB (0.46) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL2328992 0.82 NPC1 (0.40) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL1549680 0.77 PYGL (0.44) RAB9ANPC1PYGLALDH1A1KMT2A
SCHEMBL25304441 0.76 PYGL (0.52) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL25256373 0.76 RAB9A (0.48) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL2331695 0.74 SMN1; SMN2 (0.43) RAB9ANPC1MAPTPYGLKMT2A
SCHEMBL25304330 0.74 GAA (0.53) RAB9ANPC1MAPTPYGLALDH1A1
SCHEMBL2324762 0.74 ALDH1A1 (0.50) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL2322156 0.74 ALDH1A1 (0.56) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL2324769 0.71 CES2 (0.49) RAB9ANPC1MAPTALDH1A1KMT2A

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
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US 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 RAB9A 3579/4885NPC1 655/4885MAPT 2099/4885

“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.