SCHEMBL6842029

SCHEMBL6842029

CCOc1cc(C2=NN(Cc3ccc(NC(=O)c4ccco4)cc3)C(=O)OC2CC)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 3/20 0.49
TSHR P16473 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.47
KDM4E B2RXH2 9/20 0.46
HPGD P15428 7/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPT P10636 5/20 0.45
TP53 P04637 4/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 3/20 0.44

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
SCHEMBL6657734 0.97 SMN1; SMN2 (0.50) SMN1; SMN2LMNANPSR1TSHRCYP3A4
SCHEMBL6654664 0.95 TSHR (0.53) SMN1; SMN2LMNANPSR1TSHRCYP3A4
SCHEMBL6654300 0.94 TSHR (0.48) SMN1; SMN2LMNANPSR1TSHRCYP3A4
SCHEMBL6657710 0.92 TSHR (0.48) SMN1; SMN2LMNANPSR1TSHRCYP3A4
SCHEMBL6657299 0.91 TSHR (0.46) SMN1; SMN2LMNANPSR1TSHRCYP3A4
SCHEMBL6660899 0.90 TSHR (0.47) SMN1; SMN2LMNANPSR1TSHRCYP3A4
SCHEMBL6654201 0.90 TSHR (0.47) SMN1; SMN2LMNANPSR1TSHRCYP3A4
SCHEMBL6660449 0.89 PDE4D (0.40) SMN1; SMN2LMNANPSR1TSHRCYP3A4
SCHEMBL6654883 0.89 PDE4D (0.41) SMN1; SMN2LMNAMAPK1POLBKDM4E
SCHEMBL6655077 0.89 PDE4A (0.52) SMN1; SMN2LMNANPSR1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B SMN1; SMN2 2642/4885LMNA 2603/4885NPSR1 3604/4885

“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.