SCHEMBL1383312

SCHEMBL1383312

Cn1cccc1-c1cc2c(nn1)CCCCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
EEF2K O00418 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2A13 Q16696 1/20 0.34
TP53 P04637 3/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1382794 1.00 ALOX15 (0.38) ALOX15EEF2KALDH1A1CYP2A6CYP2A13
SCHEMBL2322994 0.84 ADRA1A (0.32)
SCHEMBL2328968 0.74 ALDH1A1 (0.45) ALOX15ALDH1A1MEN1NPC1USP2
SCHEMBL1383964 0.68 NPC1 (0.38) ALDH1A1TP53NPC1MAPTSMN1; SMN2
SCHEMBL1385607 0.68 NPC1 (0.38) ALDH1A1TP53NPC1MAPTSMN1; SMN2
SCHEMBL1383436 0.68 HPGD (0.46) ALDH1A1TP53GAAMEN1NPC1
SCHEMBL1386553 0.68 NOTUM (0.39) ALDH1A1
SCHEMBL1382077 0.68 HPGD (0.46) ALDH1A1TP53GAAMEN1NPC1
SCHEMBL1383142 0.68 NOTUM (0.39) ALDH1A1
SCHEMBL2323460 0.67 ALOX15 (0.35) ALOX15ALDH1A1CYP2A6CYP2A13GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4787321-B2 2011-10-05 JP claimed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP claimed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP claimed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO claimed
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 ALOX15 514/4885EEF2K 4101/4885ALDH1A1 91/4885

“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.