SCHEMBL4920850

SCHEMBL4920850

NC(=O)COc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 3/20 0.35
KMT2A Q03164 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PLAU P00749 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 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
SCHEMBL7313557 0.80 TSHR (0.50) TSHRSMN1; SMN2KDM4EHTTMAPT
SCHEMBL503651 0.78 SMN1; SMN2 (0.70) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL21067589 0.77 TSHR (0.36) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL12636212 0.76 TSHR (0.47) TSHRSMN1; SMN2KDM4EHTTMAPT
SCHEMBL3026303 0.76 TSHR (0.47) TSHRSMN1; SMN2KDM4EHTTMAPT
SCHEMBL8827471 0.76 TSHR (0.47) TSHRSMN1; SMN2KDM4EHTTMAPT
SCHEMBL9425117 0.74 TSHR (0.46) TSHRSMN1; SMN2KDM4EHTTMAPT
SCHEMBL9425753 0.73 TSHR (0.44) TSHRSMN1; SMN2KDM4EHTTMAPT
SCHEMBL9425009 0.71 SMN1; SMN2 (0.43) TSHRSMN1; SMN2KDM4EHTTMAPT
SCHEMBL9425543 0.70 TSHR (0.42) TSHRSMN1; SMN2KDM4EHTTMAPT

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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 TSHR 166/4885SMN1; SMN2 1609/4885KDM4E 628/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 TSHR 156/4885SMN1; SMN2 1477/4885KDM4E 1190/4885

“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.