SCHEMBL2086193

SCHEMBL2086193

CCN(C(=O)CC#N)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.44
SERPINE1 P05121 3/20 0.43
POLB P06746 1/20 0.42
MLYCD O95822 3/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HTT P42858 1/20 0.38
CNR2 P34972 1/20 0.37
MCHR1 Q99705 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3046218 0.84 POLB (0.47) HCRTR2SERPINE1POLBMEN1KMT2A
SCHEMBL9819029 0.83 GPBAR1 (0.42) HCRTR2SERPINE1POLBMLYCDEPHX2
SCHEMBL24794526 0.82 HCRTR2 (0.46) HCRTR2SERPINE1POLBMLYCDTSHR
SCHEMBL11647636 0.76 TSHR (0.59) TSHRMEN1KMT2AHTT
SCHEMBL4145118 0.75 SERPINE1 (0.45) HCRTR2SERPINE1POLBTSHREPHX2
SCHEMBL6575822 0.75 SERPINE1 (0.45) HCRTR2SERPINE1POLBTSHREPHX2
SCHEMBL136576 0.72 MMP2 (0.47) TSHREPHX2MEN1KMT2AHDAC3
SCHEMBL30677743 0.71 EPHX2 (0.52) HCRTR2SERPINE1MLYCDEPHX2
SCHEMBL21649311 0.71 POLB (0.48) HCRTR2SERPINE1POLBMLYCDTSHR
SCHEMBL1147510 0.69 MMP3 (0.42) HCRTR2SERPINE1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT HCRTR2 1414/4885SERPINE1 4049/4885POLB 4043/4885

“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.