SCHEMBL3041701

SCHEMBL3041701

O=Cc1ccc(-c2ccc(N3CCOCC3)cc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
MAPT P10636 8/20 0.59
KDM4E B2RXH2 7/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 4/20 0.54
TDP1 Q9NUW8 2/20 0.50
PPARG P37231 2/20 0.48
NCOA2 Q15596 2/20 0.48
PRKDC P78527 5/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 2/20 0.46
PSMD14 O00487 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL396870 0.79 ALDH1A1 (0.80) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5231689 0.79 KMT2A (0.66) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL1960058 0.75 SMN1; SMN2 (0.73) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL22579249 0.75 TRIM24 (0.63) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL3643474 0.74 MTOR (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL14450286 0.73 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL211336 0.72 TRIM24 (0.70) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL12177745 0.72 ALDH1A1 (0.69) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL18838117 0.71 ALDH3A1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAPRKDC
SCHEMBL5167379 0.71 PIK3CA (0.48) ALDH1A1MAPTSMN1; SMN2PIK3CDPIK3CA

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 6 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-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
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
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 270/4885MAPT 3973/4885KDM4E 4138/4885

“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.