SCHEMBL4854034

SCHEMBL4854034

Cc1occc1CNC(=N)NC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE10A Q9Y233 1/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL14868847 0.85 ALOX5 (0.40) ALOX5ALDH1A1TSHRHPGDNPC1
SCHEMBL24433705 0.82 ALOX5 (0.38) ALOX5ALDH1A1TSHRHPGDMAPT
SCHEMBL4855766 0.82
SCHEMBL14868716 0.82 ALOX5 (0.37) ALOX5ALDH1A1TSHRHPGDMAPT
SCHEMBL4846875 0.81
SCHEMBL4854368 0.79
SCHEMBL4854667 0.78
SCHEMBL6696794 0.76
SCHEMBL4852046 0.75 ALOX5 (0.42) ALOX5ALDH1A1HPGDMAPTPOLB
SCHEMBL17198747 0.74 KMT2A (0.49) ALDH1A1HPGDMAPTNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2021-07-20 US disclosed
EP-2800561-B1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMA US LLC (US) 2020-08-19 EP disclosed
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2020-06-02 US disclosed
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2020-05-07 US disclosed
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2019-03-14 US disclosed
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2014-11-20 US disclosed
US-8796338-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC (US) 2014-08-05 US disclosed
US-8796338-B2 Biguanide compositions and methods of treating metabolic disorders ELCELYX THERAPEUTICS, INC (US) 2014-08-05 US disclosed
WO-2013103384-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ELCELYX THERAPEUTICS, INC. (US) 2013-07-11 WO disclosed
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-04-18 US disclosed
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2013-04-18 US disclosed
US-7396858-B2 Biguanide derivative and therapeutic agent for diabetes containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-07-08 US disclosed
EP-1500656-B1 BIGUANIDE DERIVATIVES AND THEIR USE AS ANTIDIABETIC DRUGS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-12-12 EP disclosed
US-20050124693-A1 Biguanide derivative and therapeutic agent for diabetes containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-09 US disclosed
EP-1500656-A1 BIGUANIDE DERIVATIVE AND THERAPEUTIC AGENT FOR DIABETES CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-26 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 (10 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-20050124693-A1 Biguanide derivative and therapeutic agent for diabetes containing the same SLC5A1, SLC5A2, GLP1R ALOX5 3114/4885ALDH1A1 706/4885TSHR 672/4885
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ALOX5 2462/4885ALDH1A1 980/4885TSHR 2290/4885
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ALOX5 2462/4885ALDH1A1 980/4885TSHR 2290/4885
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ALOX5 2462/4885ALDH1A1 980/4885TSHR 2290/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ALOX5 2462/4885ALDH1A1 980/4885TSHR 2290/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 ALOX5 2462/4885ALDH1A1 980/4885TSHR 2290/4885
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ALOX5 2462/4885ALDH1A1 980/4885TSHR 2290/4885
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ALOX5 2462/4885ALDH1A1 980/4885TSHR 2290/4885
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG ALOX5 2642/4885ALDH1A1 1040/4885TSHR 2314/4885
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ALOX5 2462/4885ALDH1A1 980/4885TSHR 2290/4885

“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.