SCHEMBL3029028

SCHEMBL3029028

CC(=O)Nc1ccc(-c2ccc(C=O)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
TDP1 Q9NUW8 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 8/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HSP90AA1 P07900 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
STAT1 P42224 1/20 0.50
NFKB1 P19838 1/20 0.50
NPY1R P25929 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NQO2 P16083 1/20 0.49
LDHA P00338 1/20 0.48

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
SCHEMBL2563465 0.86 KDM4E (0.64) KDM4ETDP1SMN1; SMN2L3MBTL1HTT
SCHEMBL6386063 0.82 NQO2 (0.70) KDM4ETDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL29957607 0.80 PSMB8 (0.51) KDM4ETDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL19594975 0.79 ALDH1A1 (0.56) KDM4ETDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL396870 0.79 ALDH1A1 (0.80) KDM4ETDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13680461 0.79 SMN1; SMN2 (0.60) KDM4ETDP1SMN1; SMN2L3MBTL1HTT
SCHEMBL13680888 0.79 SMN1; SMN2 (0.47) KDM4ETDP1SMN1; SMN2L3MBTL1HTT
SCHEMBL11806777 0.78 MEN1 (0.63) KDM4ETDP1SMN1; SMN2L3MBTL1HTT
SCHEMBL11457930 0.76 MEN1 (0.61) KDM4ETDP1SMN1; SMN2L3MBTL1HTT
SCHEMBL11806724 0.75 SMN1; SMN2 (0.55) KDM4ETDP1SMN1; SMN2L3MBTL1HTT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 US disclosed
WO-2008005651-A2 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS DECODE CHEMISTRY, INC. (US) 2008-01-10 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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 KDM4E 4138/4885TDP1 4346/4885SMN1; SMN2 4606/4885

“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.