SCHEMBL3042079

SCHEMBL3042079

Cc1cc(N(C)C)ccc1-c1ccc(C=O)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KDM4E B2RXH2 6/20 0.43
POLB P06746 5/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 8/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
ESR1 P03372 1/20 0.40
PPM1G O15355 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN7 P35236 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPRO Q16827 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39

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
SCHEMBL2321869 0.81 KDM4E (0.47) KDM4EPOLBLMNAALDH1A1HPGD
SCHEMBL3030714 0.78 ALDH1A1 (0.50) KDM4EPOLBLMNAALDH1A1HPGD
SCHEMBL3037013 0.78 KDM4E (0.56) KDM4EPOLBLMNAALDH1A1HPGD
SCHEMBL10465016 0.78 KDM4E (0.45) KDM4EPOLBLMNAALDH1A1HPGD
SCHEMBL3036942 0.76 ALDH1A1 (0.48) KDM4EPOLBLMNAALDH1A1HPGD
SCHEMBL2324993 0.76 ALDH1A1 (0.61) GAAKDM4EPOLBLMNAALDH1A1
SCHEMBL2560093 0.75 PPM1G (0.65) GAAKDM4EPOLBLMNAALDH1A1
SCHEMBL3033218 0.74 ALDH1A1 (0.56) GAAKDM4EPOLBLMNAALDH1A1
SCHEMBL2321506 0.74 KDM4E (0.58) GAAKDM4EPOLBLMNAALDH1A1
SCHEMBL13990194 0.72 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 162/4885KDM4E 4138/4885POLB 1558/4885

“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.