SCHEMBL1968442

SCHEMBL1968442

COc1ccc(C2(C(F)(F)F)NC(=O)NC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.39
AKR1B1 P15121 3/20 0.39
AKR1A1 P14550 1/20 0.39
MGAT2 Q10469 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
MMP14 P50281 1/20 0.37

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
SCHEMBL31079070 0.79 CYP19A1 (0.37) AKR1B1
SCHEMBL31079010 0.79 AKR1B1 (0.37) MMP2MMP9MMP13AKR1B1AKR1A1
SCHEMBL14101183 0.78 CYP2C9 (0.53) MMP2MMP9AKR1B1KDM4E
SCHEMBL11721916 0.75 CYP2C9 (0.58) LMNANPSR1SMN1; SMN2MMP2MMP9
SCHEMBL539101 0.73 LMNA (0.74) LMNANPSR1SMN1; SMN2MMP2MMP9
SCHEMBL1969070 0.72 ADAM17 (0.49) LMNANPSR1SMN1; SMN2MMP2MMP13
SCHEMBL1971074 0.71 SMN1; SMN2 (0.50) LMNANPSR1SMN1; SMN2MMP2MMP9
SCHEMBL542857 0.70 TNF (0.50) LMNANPSR1SMN1; SMN2MMP2MMP13
SCHEMBL10522876 0.70 CYP2C9 (0.71) LMNANPSR1SMN1; SMN2MMP2MMP9
SCHEMBL1970250 0.69 MMP13 (0.51) LMNANPSR1SMN1; SMN2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 US disclosed
EP-2026799-B1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2011-06-22 EP disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 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 (2 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-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 TSHR 249/4885LMNA 4085/4885NPSR1 490/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 TSHR 253/4885LMNA 4071/4885NPSR1 504/4885

“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.