SCHEMBL21143014

SCHEMBL21143014

Fc1ccc(-c2c[nH]c3cc[c]cc23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
DYRK1A Q13627 2/20 0.40
TDO2 P48775 15/20 0.40
NFATC1 O95644 1/20 0.37
ALOX5 P09917 1/20 0.34

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
SCHEMBL21143005 0.83 NR4A2 (0.60) NR4A2DYRK1ATDO2
SCHEMBL19991853 0.81 NR4A2 (0.42) NR4A2TDO2
SCHEMBL19991846 0.76 IMPDH2 (0.46) NR4A2DYRK1A
SCHEMBL4459584 0.75 MPO (0.33) NR4A2
SCHEMBL695280 0.73 TRPA1 (0.52) DYRK1A
SCHEMBL694834 0.71 NR1I2 (0.40) ALOX5
SCHEMBL699272 0.70 NR4A2 (0.60) NR4A2TDO2
SCHEMBL2428032 0.69 PTGS2 (0.36)
SCHEMBL2431965 0.69 AKR1C3 (0.43)
SCHEMBL694000 0.69 CYP1A1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 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-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP NR4A2 4005/4885DYRK1A 4269/4885TDO2 3015/4885

“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.