SCHEMBL5430591

SCHEMBL5430591

FC(F)C(F)(F)COc1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
CFTR P13569 4/20 0.35
ACACB O00763 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL7684463 0.80 CFTR (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL693618 0.79 MAPT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4163859 0.79 HTT (0.37) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5610070 0.78 HTT (0.41) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8422629 0.78 HTT (0.45) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5982898 0.78 HTT (0.36) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1975332 0.78 HTT (0.39) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL1710061 0.77 KMT2A (0.51) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6944585 0.77 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7769868 0.77 HTT (0.47) HTTKMT2ASMN1; SMN2ALDH1A1MAPT

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US claimed
EP-1682145-A1 1-ALKYLPIPERAZINYL-PYRROLIDIN-2,5-DIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2006-07-26 EP claimed
WO-2005037282-A1 1-ALKYLPIPERAZINYL-PYRROLIDIN-2,5-DIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-04-28 WO claimed
US-6306880-B1 HETEROCYCLIC ALCOHOL DERIVATIVES AS FUNGICIDES SANKYO COMPANY, LIMITED (JP) 2001-10-23 US claimed
EP-1033367-A2 Process for the preparation of optically active triazole derivatives and their imidazolidin-2-one intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-06 EP claimed
EP-0884311-A2 Triazole Derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1998-12-16 EP claimed
EP-0617031-B1 Orally active azole derivates URIACH & CIA SA J (ES) 1998-09-16 EP claimed
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP claimed
US-5677464-A Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-14 US claimed
US-5478826-A Fungicides for human, animal and plants J. URIACH & CIA. S.A. (ES) 1995-12-26 US claimed
EP-0687672-A2 Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-20 EP claimed
EP-0659751-A1 Optically active azole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-28 EP claimed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US claimed
EP-0617031-A1 Orally active azole derivates J. URIACH & CIA. S.A. (ES) 1994-09-28 EP claimed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP claimed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
EP-0332387-B1 Triazole derivatives, their preparation and their use as fungicides SANKYO CO (JP) 1993-11-24 EP disclosed
EP-0480215-A1 New sulfonamides as antifungal agents J. URIACH & CIA. S.A. (ES) 1992-04-15 EP disclosed
EP-0332387-A1 Triazole derivatives, their preparation and their use as fungicides Sankyo Company Limited (JP) 1989-09-13 EP 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-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 HTT 3944/4885KMT2A 3012/4885SMN1; SMN2 4348/4885

“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.