SCHEMBL3023730

SCHEMBL3023730

O=Cc1ccc(-c2ccc(Cc3ccccc3)cc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 7/20 0.59
LMNA P02545 6/20 0.59
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 6/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 3/20 0.49
HSP90AA1 P07900 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
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
LDHA P00338 1/20 0.48
LDHB P07195 1/20 0.48
HAO1 Q9UJM8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL622653 0.85 KDM4E (0.66) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL4338939 0.83 CALM1 (0.55) KDM4EALDH1A1LMNATDP1NPC1
SCHEMBL396870 0.83 ALDH1A1 (0.80) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL8185186 0.82 KDM4E (0.50) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL8227421 0.82 KDM4E (0.50) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL3023677 0.81 KDM4E (0.61) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL5231710 0.81 ALDH1A1 (0.61) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL13043078 0.78 KDM4E (0.57) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL3038823 0.78 ALDH1A1 (0.57) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL3038241 0.78 KDM4E (0.57) KDM4EALDH1A1LMNATDP1MAPT

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 8 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-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
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 KDM4E 4138/4885ALDH1A1 270/4885LMNA 3523/4885

“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.