SCHEMBL14868321

SCHEMBL14868321

CNC(=N)NC(=N)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
IDO1 P14902 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
Hydrochloric Acid SCHEMBL17186315 0.98 MAPT (0.48) ALOX12ALDH1A1HPGDMAPTKMT2A
Hydrochloric Acid SCHEMBL2246639 0.98 MAPT (0.48) ALOX12ALDH1A1HPGDMAPTKMT2A
SCHEMBL4014042 0.90 ALOX12 (0.52) ALOX12ALDH1A1HPGDMAPTKMT2A
SCHEMBL3071671 0.90 ALDH1A1 (0.56) ALOX12ALDH1A1HPGDMAPTKMT2A
SCHEMBL18624786 0.84 LMNA (0.46) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL22352757 0.83 LMNA (0.43) ALOX12ALDH1A1HPGDMAPTKMT2A
SCHEMBL14868317 0.82 NPC1 (0.50) ALOX12ALDH1A1HPGDMAPTKMT2A
SCHEMBL1273847 0.82 ALDH1A1 (0.60) ALOX12ALDH1A1HPGDMAPTKMT2A
SCHEMBL7625985 0.81 ALDH1A1 (0.47) ALOX12ALDH1A1HPGDMAPTKMT2A
Hydrochloric Acid SCHEMBL17186225 0.81 NPC1 (0.49) ALOX12ALDH1A1HPGDMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725264-B Biguanide derivative, preparation method thereof, and pharmaceutical composition containing same as an active ingredient HANALL BIOPHARMA CO LTD 2014-12-17 CN claimed
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
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-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2015-03-05 US disclosed
US-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ELCELYX THERAPEUTICS, INC. (US) 2015-03-05 US disclosed
CN-102725264-B Biguanide derivative, preparation method thereof, and pharmaceutical composition containing same as an active ingredient HANALL BIOPHARMA CO LTD 2014-12-17 CN disclosed
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2014-11-20 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

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-20150064223-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ALOX12 2641/4885ALDH1A1 980/4885HPGD 929/4885
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ALOX12 2641/4885ALDH1A1 980/4885HPGD 929/4885
US-11065215-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ALOX12 2641/4885ALDH1A1 980/4885HPGD 929/4885
US-20130095140-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ALOX12 2641/4885ALDH1A1 980/4885HPGD 929/4885
US-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ALOX12 2641/4885ALDH1A1 980/4885HPGD 929/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 ALOX12 2641/4885ALDH1A1 980/4885HPGD 929/4885
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ALOX12 2641/4885ALDH1A1 980/4885HPGD 929/4885
US-10028923-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ALOX12 2641/4885ALDH1A1 980/4885HPGD 929/4885
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG ALOX12 2797/4885ALDH1A1 1040/4885HPGD 1026/4885
US-20140341986-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 ALOX12 2641/4885ALDH1A1 980/4885HPGD 929/4885

“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.