SCHEMBL6948039

SCHEMBL6948039

CC(=O)c1cc(Cc2ccccc2)cc(Cc2cnccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
TBXAS1 P24557 10/20 0.45
FYN P06241 1/20 0.43
KMT2A Q03164 1/20 0.42
VNN1 O95497 1/20 0.42
MAOB P27338 2/20 0.41
SYK P43405 1/20 0.40

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
SCHEMBL22641024 0.83 KMT2A (0.58) LMNATBXAS1KMT2AVNN1MAOB
SCHEMBL6949374 0.83 PTPN1 (0.45) TBXAS1VNN1
SCHEMBL7082280 0.82 LMNA (0.49) LMNATBXAS1FYNKMT2AMAOB
SCHEMBL3048473 0.80 ALDH1A1 (0.50) FYNKMT2AVNN1
SCHEMBL7079566 0.79 MEN1 (0.40) FYNKMT2AVNN1
SCHEMBL7077399 0.79 SMN1; SMN2 (0.38) LMNAVNN1
SCHEMBL7079761 0.79 SMN1; SMN2 (0.49) LMNASYK
SCHEMBL15043256 0.77 LMNA (0.61) LMNATBXAS1FYNKMT2AMAOB
SCHEMBL12150535 0.75 LMNA (0.62) LMNAKMT2AMAOB
SCHEMBL6480011 0.75 LMNA (0.62) LMNAKMT2AMAOB

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 5 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-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP disclosed
US-6380249-B1 HIV integrase inhibitors MERCK & CO., INC. 2002-04-30 US disclosed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 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 3637/4885TBXAS1 1368/4885FYN 4184/4885

“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.