SCHEMBL1383375

SCHEMBL1383375

Fc1ccc(F)c(-c2cc3c(nn2)CCCCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 2/20 0.35
ACHE P22303 4/20 0.34
BCHE P06276 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
NPY5R Q15761 2/20 0.32
FABP6 P51161 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1383044 0.88 MAOA (0.42) KMT2AHTR2CTP53MAOAMAOB
SCHEMBL1385607 0.83 NPC1 (0.38) POLBTP53LMNA
SCHEMBL1383964 0.83 NPC1 (0.38) POLBTP53LMNA
SCHEMBL1383974 0.83 TRPA1 (0.38) KMT2AHTR2CACHEBCHEGRIN1
SCHEMBL1386887 0.83 TRPA1 (0.38) KMT2AHTR2CACHEBCHEGRIN1
SCHEMBL1383468 0.80 AR (0.41) KMT2AHTR2CACHEBCHEGRIN1
SCHEMBL1386631 0.80 AR (0.41) KMT2AHTR2CACHEBCHEGRIN1
SCHEMBL2321767 0.73 TRPA1 (0.39) HTR2CLMNA
SCHEMBL1385103 0.73 TRPA1 (0.39) HTR2CLMNA
SCHEMBL2328968 0.71 ALDH1A1 (0.45) KMT2APOLBMAOBLMNA

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
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 KMT2A 2891/4885HTR2C 338/4885POLB 2698/4885

“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.