SCHEMBL4943741

SCHEMBL4943741

CCC(NN)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
KIF11 P52732 2/20 0.41
KCNN4 O15554 2/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL21480007 0.84 KCNN4 (0.53) CYP1A2CYP2D6KMT2AMAPTKIF11
SCHEMBL14306296 0.83 KCNN4 (0.43) CYP1A2CYP2D6KMT2AMAPTKIF11
SCHEMBL4450821 0.83 KCNN4 (0.43) CYP1A2CYP2D6KMT2AMAPTKIF11
Hydrochloric Acid SCHEMBL23855527 0.83 KCNN4 (0.51) CYP1A2CYP2D6KMT2AMAPTKIF11
SCHEMBL18112741 0.82 KMT2A (0.43) CYP1A2CYP2D6KMT2AMAPTKIF11
SCHEMBL3937565 0.80 HDAC1 (0.42) CYP1A2KMT2AMAPTKCNN4CYP2C19
SCHEMBL9829581 0.80 CXCR2 (0.42) CYP1A2CYP2D6KMT2AMAPTKIF11
SCHEMBL9829583 0.80 CXCR2 (0.42) CYP1A2CYP2D6KMT2AMAPTKIF11
SCHEMBL8038268 0.79 ALDH1A1 (0.39) CYP1A2CYP2D6KMT2AMAPTKIF11
SCHEMBL2089894 0.79 MAPT (0.43) CYP1A2CYP2D6MAPTKIF11KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors ALTANA PHARMA AG (DE) 2008-09-18 US disclosed
EP-1716123-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-02 EP disclosed
WO-2005075437-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 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-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors PDE4A, PDE4B, PDE5A CYP1A2 172/4885CYP2D6 142/4885KMT2A 3218/4885

“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.