SCHEMBL3033218

SCHEMBL3033218

CN(C)c1cccc(-c2ccc(C=O)o2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 5/20 0.56
POLB P06746 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 3/20 0.51
TP53 P04637 1/20 0.51
CYP2E1 P05181 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
NOTUM Q6P988 2/20 0.44
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44

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
SCHEMBL23576817 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL2324993 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL2324212 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL23576701 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL30013811 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL25977802 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL8243143 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL14608669 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL14324626 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL624327 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1

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 ALDH1A1 270/4885KDM4E 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.