SCHEMBL7082280

SCHEMBL7082280

CC(=O)c1cc(Cc2ccccc2)cc(Cc2cnc(C)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
FYN P06241 1/20 0.43
KMT2A Q03164 1/20 0.39
BRD4 O60885 2/20 0.39
MAOB P27338 2/20 0.38
HTR2B P41595 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
TBXAS1 P24557 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PTPN1 P18031 2/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36

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
SCHEMBL7081898 0.83 ALDH1A1 (0.42) LMNAKMT2ABRD4ALDH1A1
SCHEMBL6948039 0.82 LMNA (0.53) LMNAFYNKMT2AMAOBTBXAS1
SCHEMBL13562464 0.81 HTR2B (0.46) LMNAKMT2AHTR2BALDH1A1
SCHEMBL7083124 0.81 HTR2B (0.40) KMT2AHTR2BLNPEPALDH1A1
SCHEMBL6480011 0.75 LMNA (0.62) LMNAKMT2AMAOBALDH1A1PTPN1
SCHEMBL12150535 0.75 LMNA (0.62) LMNAKMT2AMAOBALDH1A1PTPN1
SCHEMBL12442596 0.74 LMNA (0.47) LMNAFYNBRD4MAOBALDH1A1
SCHEMBL15043256 0.74 LMNA (0.61) LMNAFYNKMT2AMAOBTBXAS1
SCHEMBL22957984 0.73 LTA4H (0.40) LMNAKMT2AHTR2B
SCHEMBL7079761 0.73 SMN1; SMN2 (0.49) LMNAALDH1A1

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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 EP disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 EP disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 LMNA 3637/4885FYN 4184/4885KMT2A 3589/4885

“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.