Sugi Predict

Sugi Predict / Compounds / SCHEMBL3258917

SCHEMBL3258917

SCHEMBL3258917

COc1ccc(C2(C(=O)O)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ TET3 O43151 1/20 0.41
▸ FBXL19 Q6PCT2 1/20 0.41
▸ CXXC5 Q7LFL8 1/20 0.41
▸ TET1 Q8NFU7 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ CXXC4 Q9H2H0 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ NPC1 O15118 3/20 0.39

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
SCHEMBL19243458 0.94 KMT2A (0.47) NNMTALDH1A1KMT2AMEN1TSHR
SCHEMBL21874173 0.92 KMT2A (0.49) NNMTALDH1A1KMT2AMEN1TSHR
SCHEMBL29730575 0.86 NNMT (0.53) NNMTALDH1A1KMT2AMEN1MKNK1
SCHEMBL6177725 0.86 NNMT (0.53) NNMTALDH1A1KMT2AMEN1MKNK1
SCHEMBL3007679 0.85 AKR1C1 (0.44) NNMTALDH1A1KMT2AMEN1TSHR
SCHEMBL12850050 0.84 NNMT (0.39) NNMTALDH1A1KMT2AMEN1MKNK1
SCHEMBL21873938 0.79 ALDH1A1 (0.46) NNMTALDH1A1KMT2AMEN1MKNK1
SCHEMBL348631 0.78 HDAC1 (0.48) KMT2AMEN1AKR1C1PABPC1
SCHEMBL23647652 0.77 NNMT (0.43) NNMTALDH1A1KMT2AMKNK1MKNK2
SCHEMBL3008548 0.75 ALDH1A1 (0.38) NNMTALDH1A1KMT2AMEN1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898623-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2021-10-27 — — EP disclosed
US-11076600-B2 Mixtures of cis-jasmone and bacillus amyloliquefaciens BASF SE (DE) 2021-08-03 — — US disclosed
WO-2021101949-A1 PAENIBACILLUS ISOLATES AND USES THEREOF NOVOZYMES BIOAG A/S (DK) 2021-05-27 — — WO disclosed
WO-2021101937-A1 PSEUDOMONAS ISOLATES AND USES THEREOF NOVOZYMES BIOAG A/S (DK) 2021-05-27 — — WO disclosed
WO-2020126591-A1 SUBSTITUTED PYRIMIDINIUM COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2020-06-25 — — WO disclosed
US-20180317498-A1 Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens BASF SE (DE) 2018-11-08 — — US disclosed
EP-3294690-A1 THIOETHER COMPOUNDS AS NITRIFICATION INHIBITORS BASF SE (DE) 2018-03-21 — — EP disclosed
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 — — EP disclosed
WO-2016180859-A1 THIOETHER COMPOUNDS AS NITRIFICATION INHIBITORS BASF SE (DE) 2016-11-17 — — WO disclosed
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 — — EP disclosed
EP-2696689-A1 USE OF SUBSTITUTED DITHIINE-TETRACARBOXIMIDES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2014-02-19 — — EP disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 — — US disclosed
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-09-05 — — US disclosed
WO-2013092943-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-06-27 — — WO disclosed
WO-2013024170-A1 CARBAMOYLMETHOXY- AND CARBAMOYLMETHYLTHIO- AND CARBAMOYLMETHYLAMINO BENZAMIDES FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-02-21 — — WO disclosed
WO-2013024083-A1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKOXY-2-ALKYNYL/ALKENYL-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2013-02-21 — — WO disclosed
WO-2012139987-A1 USE OF SUBSTITUTED DITHIINE-TETRACARBOXIMIDES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2012-10-18 — — WO disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — US disclosed
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — US disclosed
US-20100035753-A1 Fungicidal Mixtures Comprising Substituted 1-methylpyrazol-4-ylcarboxanilides BASF SE (DE) 2010-02-11 — — US 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-11076600-B2 Mixtures of cis-jasmone and bacillus amyloliquefaciens BAX, FASN, BAK1 NNMT 2048/4885ALDH1A1 4217/4885KMT2A 4623/4885
US-20180317498-A1 Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens BAX, FASN, BAK1 NNMT 2048/4885ALDH1A1 4217/4885KMT2A 4623/4885
US-20120184521-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 NNMT 4816/4885ALDH1A1 3512/4885KMT2A 586/4885
US-20100035753-A1 Fungicidal Mixtures Comprising Substituted 1-methylpyrazol-4-ylcarboxanilides CBR3, CBR1, HCN2 NNMT 1127/4885ALDH1A1 2931/4885KMT2A 1943/4885
US-20130231320-A1 SUBSTITUTED AMIDE COMPOUND LPAR1, LPAR2, LPAR3 NNMT 4830/4885ALDH1A1 3520/4885KMT2A 668/4885

“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.