SCHEMBL3605557

SCHEMBL3605557

O=C(Nc1ccccc1NC(=O)C(F)(F)F)C1CC1c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
ABL1 P00519 1/20 0.40
CYP3A4 P08684 1/20 0.39
NAMPT P43490 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
DEGS1 O15121 1/20 0.38
MAPK14 Q16539 4/20 0.38
GSK3B P49841 1/20 0.38
LTB4R Q15722 1/20 0.37
ITK Q08881 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
SCHEMBL8453140 0.88 KDM1A (0.47) HDAC1HDAC2HDAC3NCOR2KDM1A
Trifluoroacetic Acid SCHEMBL3605559 0.85 HDAC3 (0.41) HDAC1HDAC2HDAC3NCOR2KDM1A
Trifluoroacetic Acid SCHEMBL3605556 0.85 HDAC3 (0.41) HDAC1HDAC2HDAC3NCOR2KDM1A
SCHEMBL8446373 0.84 HDAC1 (0.42) HDAC1HDAC2HDAC3NCOR2KDM1A
SCHEMBL8470383 0.84 HDAC1 (0.41) HDAC1HDAC2HDAC3NCOR2KDM1A
Trifluoroacetic Acid SCHEMBL3596302 0.82 TRPM5 (0.42) ABL1MAPK14ITK
Trifluoroacetic Acid SCHEMBL3596305 0.82 TRPM5 (0.42) ABL1MAPK14ITK
Trifluoroacetic Acid SCHEMBL3614385 0.82 DEGS1 (0.45) TCF4CTNNB1ABL1DEGS1MAPK14
Trifluoroacetic Acid SCHEMBL3614387 0.82 DEGS1 (0.45) TCF4CTNNB1ABL1DEGS1MAPK14
SCHEMBL8446372 0.81 DEGS1 (0.47) TCF4CTNNB1ABL1DEGS1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP disclosed
US-8299102-B2 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals SANOFI (FR) 2012-10-30 US disclosed
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2121612-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 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-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA HDAC1 1647/4885HDAC2 1593/4885HDAC3 1361/4885

“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.