SCHEMBL3043067

SCHEMBL3043067

Cc1ccc(-c2ccc(C=O)o2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 2/20 0.42
PIK3CG P48736 2/20 0.41
ATM Q13315 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
EGFR P00533 1/20 0.40
PIK3CA P42336 1/20 0.40
IGF1R P08069 1/20 0.40
SLC9A1 P19634 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL6010187 0.87 SLC9A1 (0.50) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL3030650 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL2321869 0.83 KDM4E (0.47) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL21823823 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL3037013 0.77 KDM4E (0.56) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL3043232 0.76 KDM4E (0.58) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL2350945 0.76 MAPT (0.65) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL6009918 0.74 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL17802790 0.74 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAPOLBHPGD
SCHEMBL2318474 0.72 KDM4E (0.67) ALDH1A1KDM4ELMNAPOLBHPGD

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 2 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

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 4138/4885LMNA 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.