SCHEMBL1230968

SCHEMBL1230968

Cc1ccccc1OC1CCN(C(=O)Nc2ccnn(C)c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.52
▸ SCD O00767 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1230312 0.89 EPHX2 (0.51) EPHX2SCDGAA
SCHEMBL1230343 0.88 SCD (0.41) EPHX2SCDMAPT
SCHEMBL1231596 0.88 THRB (0.43) EPHX2SCDLMNATP53NPC1
SCHEMBL1229332 0.85 BCHE (0.38) EPHX2SCD
SCHEMBL1231202 0.83 GPR6 (0.45) SCDKMT2A
SCHEMBL1230459 0.83 SCD (0.49) EPHX2SCDMAPTHTTGAA
SCHEMBL1231219 0.82 SCD (0.49) SCDMAPTGAA
SCHEMBL1231168 0.82 SCD (0.53) EPHX2SCD
SCHEMBL1231493 0.81 SCD (0.50) EPHX2SCDLMNAMAPT
SCHEMBL1230319 0.81 FPR2 (0.50) EPHX2SCDLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011015629-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2011-02-10 — — WO claimed
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 — — US disclosed
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 — — US disclosed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 — — US disclosed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 — — US disclosed
WO-2011015629-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2011-02-10 — — WO disclosed
WO-2011015629-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2011-02-10 — — 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-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS SCD, SCD5, CYP2S1 EPHX2 1211/4885SCD 1/4885KMT2A 863/4885

“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.

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