SCHEMBL1064618

SCHEMBL1064618

COc1[c]cccc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.34
CASP1 P29466 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KCNN4 O15554 1/20 0.33
NR1I2 O75469 1/20 0.33
DRD1 P21728 1/20 0.33
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TNF P01375 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL899973 0.86 DRD1 (0.35) DRD1ALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL1067817 0.85 CA1 (0.38) HPGDCASP1CA12CA1CA2
SCHEMBL16962943 0.83 NPSR1 (0.37) CA12CA1CA2CA4CA7
SCHEMBL16958182 0.81 MEN1 (0.40) HPGDCASP1DRD1ALDH1A1MAPT
SCHEMBL123985 0.80 CA1 (0.48) HPGDCA12CA1CA2CA4
SCHEMBL1068899 0.79 SLC22A12 (0.32) DRD1
SCHEMBL28053410 0.78 CA1 (0.46) HPGDCA12CA1CA2CA4
SCHEMBL21325977 0.77 CA12 (0.30) CA12CA1CA2CA4CA7
SCHEMBL1067400 0.77 NR1I2 (0.37) KCNN4NR1I2DRD1GAAALDH1A1
SCHEMBL27272029 0.76 CA1 (0.44) HPGDCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020191501-A1 METHODS AND USES OF BEMITHYL AND DERIVATIVES FOR TREATING LUNG DISEASE, FATTY LIVER DISEASE, AND KIDNEY DISORDERS ALGERNON PHARMACEUTICALS INC. (CA) 2020-10-01 WO disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 US disclosed
US-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-09-27 US disclosed
EP-3356365-A1 FUSED PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-08-08 EP disclosed
EP-3356367-A1 FUSED PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Biopharma SPRL (BE) 2018-08-08 EP disclosed
EP-3167716-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-17 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 US disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 WO disclosed
WO-2011006886-A2 AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV BASF SE (DE) 2011-01-20 WO disclosed
WO-2010149758-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-29 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 (4 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA HPGD 1362/4885CASP1 57/4885CA12 4831/4885
US-20180273525-A1 Fused Pyridine Derivatives As Kinase Inhibitors PI4KA, PI4KB, PI4K2B HPGD 3181/4885CASP1 561/4885CA12 4878/4885
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB HPGD 3977/4885CASP1 694/4885CA12 4844/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX HPGD 1114/4885CASP1 1071/4885CA12 1952/4885

“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.