Sugi Predict

Sugi Predict / Compounds / SCHEMBL486186

SCHEMBL486186

SCHEMBL486186

CCc1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.61
▸ MAPT P10636 6/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.52
▸ GAA P10253 6/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ HTT P42858 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALKBH5 Q6P6C2 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ MPI P34949 1/20 0.41
▸ CTSA P10619 2/20 0.40
▸ GFER P55789 1/20 0.40

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
SCHEMBL13292408 0.86 TSHR (0.58) TSHRMAPTALDH1A1LMNAL3MBTL1
SCHEMBL4810183 0.86 TSHR (0.58) TSHRMAPTALDH1A1LMNAL3MBTL1
SCHEMBL11517193 0.84 MAPT (0.47) TSHRMAPTALDH1A1LMNAL3MBTL1
SCHEMBL23401362 0.83 ALKBH5 (0.58) TSHRMAPTALDH1A1LMNAL3MBTL1
SCHEMBL23403253 0.83 TSHR (0.56) TSHRMAPTALDH1A1LMNAL3MBTL1
SCHEMBL7518997 0.82 TSHR (0.55) TSHRMAPTALDH1A1LMNAL3MBTL1
SCHEMBL27895365 0.82 ALKBH5 (0.57) TSHRMAPTALDH1A1LMNAL3MBTL1
SCHEMBL7449761 0.82 TSHR (0.61) TSHRMAPTALDH1A1LMNAL3MBTL1
SCHEMBL23402220 0.81 TSHR (0.57) TSHRMAPTALDH1A1LMNAL3MBTL1
SCHEMBL11199820 0.81 TSHR (0.53) TSHRMAPTALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
CN-109020987-B Iodine medium preparation method of chiral pyrazole spirofuran compound 浙江工业大学 2021-04-06 — — CN disclosed
CN-108997365-B Series catalytic preparation method of chiral pyrazole spirofuran compound 浙江工业大学 2021-04-06 — — CN disclosed
US-10011581-B2 Process for preparing 4-amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methyl-pentanoic acid compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-03 — — US disclosed
US-9725448-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 — — US disclosed
US-9676742-B2 Process for preparing 4-amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methyl-pentanoic acid compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-13 — — US disclosed
US-20170066764-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-09 — — US disclosed
CN-105136951-A Rapid quantitative method for tea polysaccharide monosaccharide composition UNIV HUAZHONG AGRICULTURAL 2015-12-09 — — CN disclosed
US-20150291546-A1 PROCESS FOR PREPARING 4-AMINO-5-BIPHENYL-4-YL-2-HYDROXYMETHYL-2-METHYL-PENTANOIC ACID COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-15 — — US disclosed
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 — — EP disclosed
US-8449890-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-05-28 — — US disclosed
CN-102952158-A Triazine type siloxane surface modifier and preparation method thereof UNIV DALIAN TECH 2013-03-06 — — CN disclosed
US-20120213807-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-08-23 — — US disclosed
US-20120157383-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — US disclosed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — US disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 — — US disclosed
CN-102093743-A Antihalation dye for printing photographic film and preparation method thereof SECOND FILM FACTORY OF LUCKY GROUP 2011-06-15 — — CN disclosed
US-20100056597-A1 INDOLEDIONE DERIVATIVE MSD K.K. (JP) 2010-03-04 — — US disclosed
EP-2145884-A1 INDOLEDIONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-01-20 — — EP disclosed
EP-1658128-B1 MULTI-CONSTITUENT PACKAGING COMPRISING A STATIC MICROMIXER AND METHOD FOR PRODUCING FORMULATIONS PROCTER & GAMBLE (US) 2009-11-04 — — 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 (7 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-20100056597-A1 INDOLEDIONE DERIVATIVE LIPE, IDO1, ADRA1A TSHR 527/4885MAPT 2831/4885ALDH1A1 303/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE TSHR 1101/4885MAPT 556/4885ALDH1A1 2644/4885
US-10011581-B2 Process for preparing 4-amino-5-biphenyl-4-yl-2-hydroxymethyl-2-methyl-pentanoic acid compound CYP4B1, P2RX5, P2RX6 TSHR 1935/4885MAPT 529/4885ALDH1A1 1237/4885
US-20120213807-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB TSHR 801/4885MAPT 574/4885ALDH1A1 3379/4885
US-20150291546-A1 PROCESS FOR PREPARING 4-AMINO-5-BIPHENYL-4-YL-2-HYDROXYMETHYL-2-METHYL-PENTANOIC ACID COMPOUND CYP4B1, KDM4B, MECP2 TSHR 2201/4885MAPT 449/4885ALDH1A1 1072/4885
US-20170066764-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB TSHR 801/4885MAPT 574/4885ALDH1A1 3379/4885
US-20120157383-A1 NEPRILYSIN INHIBITORS MME, REN, ACE TSHR 1101/4885MAPT 556/4885ALDH1A1 2644/4885

“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.