SCHEMBL6659331

SCHEMBL6659331

CCC1SC(=O)N(C(NC(=O)c2cnccn2)c2ccccc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
MEN1 O00255 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6661219 0.93 PDE4A (0.43) CYP1A2CYP3A4ALDH1A1PDE4APDE4B
SCHEMBL6657876 0.92 TLR7 (0.44) KMT2AALDH1A1KDM4EHTTPDE4A
SCHEMBL6656929 0.89 AAK1 (0.42) CYP1A2CYP3A4ALDH1A1PDE4APDE4B
SCHEMBL6655985 0.88 PDE4A (0.41) CYP3A4PDE4APDE4BPDE4CPDE4D
SCHEMBL6653518 0.85 KMT2A (0.41) KMT2ACYP1A2CYP3A4ALDH1A1POLB
SCHEMBL6657341 0.85 KMT2A (0.40) KMT2AALDH1A1POLBLMNAPDE4A
SCHEMBL6658114 0.85 CYP1A2 (0.42) KMT2ACYP1A2CYP3A4ALDH1A1POLB
SCHEMBL6837197 0.85 MAPT (0.38) KMT2AALDH1A1POLBLMNAPDE4A
SCHEMBL6841793 0.84 PDE4A (0.37) KMT2ACYP3A4POLBPDE4APDE4B
SCHEMBL6842547 0.84 PDE4A (0.37) CYP3A4LMNAPDE4APDE4BPDE4C

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 6 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-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO 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 KMT2A 3056/4885CYP1A2 1911/4885CYP3A4 358/4885

“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.