SCHEMBL6174527

SCHEMBL6174527

O=c1[nH]ncn1-c1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
CMA1 P23946 1/20 0.37
ACACB O00763 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
TNF P01375 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CCNA2 P20248 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
SCHEMBL7678488 0.94 HTT (0.41) HTTKMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8723261 0.93 ACACB (0.41) HTTKMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL7686964 0.90 HTT (0.39) HTTKMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL9232299 0.86 HTT (0.54) HTTTDP1GPR119CMA1L3MBTL1
SCHEMBL8718743 0.85 USP2 (0.46) HTTKMT2ASMN1; SMN2TDP1GPR119
SCHEMBL8721370 0.84 HTT (0.48) HTTKMT2ATDP1GPR119CMA1
SCHEMBL8718390 0.81 HTT (0.50) HTTSMN1; SMN2ALDH1A1TDP1GPR119
SCHEMBL8105481 0.79 HTT (0.39) HTTKMT2ASMN1; SMN2ALDH1A1CMA1
SCHEMBL8718627 0.78 HTT (0.41) HTTKMT2ASMN1; SMN2ALDH1A1ACACB
SCHEMBL8721346 0.77 L3MBTL1 (0.62) HTTKMT2ASMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261330-A1 Derivatives of 2,2,4-trisubstituted tetrahydrofuran an antifungal agents RANBAXY LABORATORIES LIMITED (IN) 2005-11-24 US disclosed
EP-1497298-A1 DERIVATIVES OF 2,2,4-TRISUBSTITUTED TETRAHYDROFURAN AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES, LTD. (IN) 2005-01-19 EP disclosed
WO-2003087106-A1 DERIVATIVES OF 2,2,4-TRISUBSTITUTED TETRAHYDROFURAN AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2003-10-23 WO disclosed
US-6362206-B1 FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-26 US disclosed
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 disclosed
US-6034248-A FUNGICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 US disclosed
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0809640-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-03 EP disclosed
WO-1996025410-A1 AZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-22 WO disclosed
EP-0687672-A2 Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-20 EP disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
EP-0659751-A1 Optically active azole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-28 EP disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 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-20050261330-A1 Derivatives of 2,2,4-trisubstituted tetrahydrofuran an antifungal agents ERG28, DPM1, CYP51A1 HTT 2371/4885KMT2A 3023/4885SMN1; SMN2 4157/4885

“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.