SCHEMBL694699

SCHEMBL694699

OCc1ccc(I)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.38
KIF11 P52732 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 3/20 0.34
TRPV1 Q8NER1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLQ O75417 3/20 0.32
EPHX2 P34913 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
NOTUM Q6P988 1/20 0.32
NR1H2 P55055 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL29408824 0.82 IDO1 (0.41) IDO1SLC6A4SLC6A2NR1H2
SCHEMBL699945 0.82 IDO1 (0.37) IDO1NR1H2
SCHEMBL3708436 0.82 IDO1 (0.41) IDO1SLC6A4SLC6A2NR1H2
Hydrochloric Acid SCHEMBL31717312 0.80 IDO1 (0.42) IDO1NR1H2
SCHEMBL14994051 0.80 RXRA (0.46) POLQRXRARXRBRXRG
SCHEMBL14995479 0.78 POLQ (0.41) HDAC3HDAC1HDAC2HDAC6POLQ
SCHEMBL2964967 0.77 HSP90AA1 (0.41) IDO1KIF11HSP90AA1HSP90AB1SLC6A4
SCHEMBL1993639 0.77 CES2 (0.52) IDO1POLQRXRARXRBRXRG
SCHEMBL695215 0.77 IDO1 (0.43) IDO1KIF11HSP90AA1HSP90AB1NOTUM
SCHEMBL3278241 0.77 IDO1 (0.61) IDO1KIF11SLC6A4SLC6A2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E IDO1 292/4885KIF11 4819/4885HSP90AA1 2666/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 IDO1 74/4885KIF11 4499/4885HSP90AA1 1272/4885

“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.