SCHEMBL4530486

SCHEMBL4530486

FC(F)C(F)(F)COc1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.39
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 4/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.31
POLB P06746 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
SCHEMBL745185 0.82 GPR3 (0.36) LMNANPSR1KMT2AHTTMEN1
SCHEMBL5488003 0.82 USP2 (0.47) LMNANPSR1HTTSMN1; SMN2L3MBTL1
SCHEMBL9859940 0.77 USP2 (0.31) MAPTTSHR
SCHEMBL5474677 0.74
SCHEMBL292905 0.74 GABRP (0.33) NPSR1SMN1; SMN2ALDH1A1
SCHEMBL1407804 0.74
SCHEMBL7651552 0.73
SCHEMBL5981910 0.73 CFTR (0.37) CFTRLMNANPSR1KMT2AHTT
SCHEMBL5982676 0.73 KDM4E (0.35) CFTRLMNANPSR1KMT2AHTT
SCHEMBL5982679 0.73 ALDH1A1 (0.36) CFTRLMNANPSR1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US claimed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US claimed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP 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-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP disclosed
US-20060116411-A1 Medicinal composition containing triazole compound SANKYO COMPANY, LIMITED (JP) 2006-06-01 US disclosed
EP-1632228-A1 MEDICINAL COMPOSITION CONTAINING TRIAZOLE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO disclosed
US-6306880-B1 HETEROCYCLIC ALCOHOL DERIVATIVES AS FUNGICIDES SANKYO COMPANY, LIMITED (JP) 2001-10-23 US disclosed
US-20010031768-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 US disclosed
US-20010031778-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 US disclosed
US-6300357-B1 FOR THERAPY OF MYCOTIC DISEASE OF A HUMAN BEING AND AN ANIMAL SANKYO COMPANY, LIMITED (JP) 2001-10-09 US disclosed
EP-0841327-B1 TRIAZOLE ANTIFUNGAL AGENT SANKYO CO (JP) 2001-10-04 EP disclosed
US-5977152-A Triazole antifungal agent SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
EP-0841327-A1 TRIAZOLE ANTIFUNGAL AGENT SANKYO COMPANY LIMITED (JP) 1998-05-13 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 (5 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 CFTR 1021/4885LMNA 1743/4885NPSR1 84/4885
US-20010031768-A1 Triazole antifungal agent ERG28, RIF1, NAT1 CFTR 1002/4885LMNA 4508/4885NPSR1 2631/4885
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A CFTR 1923/4885LMNA 2733/4885NPSR1 100/4885
US-20010031778-A1 Triazole antifungal agent ERG28, NAT1, RIF1 CFTR 2097/4885LMNA 4677/4885NPSR1 2135/4885
US-20060116411-A1 Medicinal composition containing triazole compound CYP4B1, IL33, CYP3A43 CFTR 127/4885LMNA 3182/4885NPSR1 2727/4885

“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.