SCHEMBL7081879

SCHEMBL7081879

Cc1c(C(=O)O)cc(-n2cccn2)cc1-n1cccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
G6PD P11413 1/20 0.45
KAT6A Q92794 5/20 0.44
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
RXFP1 Q9HBX9 1/20 0.37
KDM5A P29375 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 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
SCHEMBL7081471 0.88 ALDH1A1 (0.45) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL7081338 0.87 MAPT (0.44) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL31643671 0.86 LMNA (0.46) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL27827892 0.83 ACLY (0.46) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL7078820 0.82 JAK2 (0.47) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL15524867 0.80 MYC (0.45) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL18311230 0.79 KAT6A (0.61) LMNAKAT6APIK3CDPIK3CAPIK3CB
SCHEMBL7077265 0.79 KAT6A (0.39) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL16464158 0.78 ALDH1A1 (0.47) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL28840375 0.76 LMNA (0.46) LMNAALDH1A1MAPTKDM4EMEN1

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 3637/4885ALDH1A1 145/4885MAPT 2302/4885

“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.