SCHEMBL4043920

SCHEMBL4043920

COC(=O)Nc1cc(C(F)(F)F)c(F)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
HPGD P15428 1/20 0.39
AR P10275 3/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.35
KIF11 P52732 1/20 0.34
NOTUM Q6P988 1/20 0.34
SOS1 Q07889 1/20 0.34
GPR35 Q9HC97 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
KCNE1 P15382 2/20 0.33
KCNQ1 P51787 2/20 0.33

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
SCHEMBL3936374 0.84 HPGD (0.46) HPGDHTTMAPTMEN1KMT2A
SCHEMBL879697 0.84 NOTUM (0.46) CFTRHPGDARHTTMAPT
SCHEMBL3932786 0.78 HPGD (0.41) HPGDHTTMAPTMEN1TSHR
SCHEMBL3927038 0.76 HPGD (0.46) HPGDHTTMAPTMEN1KMT2A
SCHEMBL3924432 0.75 NPC1 (0.42) HPGDHTTMEN1TSHRKMT2A
SCHEMBL1397668 0.75 HPGD (0.41) HPGDHTTMAPTMEN1TSHR
SCHEMBL3935331 0.75 HTT (0.42) HPGDHTTMAPTMEN1KMT2A
SCHEMBL977741 0.72 KIF11 (0.49) KIF11
SCHEMBL12201211 0.71 KDM4E (0.43) CFTRHPGDMAPTTP53RAB9A
SCHEMBL2991093 0.70 TAS2R14 (0.40) CFTRARHTTMAPTTSHR

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-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 CFTR 445/4885HPGD 1383/4885AR 2332/4885

“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.