SCHEMBL20799765

SCHEMBL20799765

CNCNC(=N)N(C)CCc1ccco1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.36
POLB P06746 3/20 0.36
RIPK1 Q13546 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.34
ADAM17 P78536 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL14868722 0.82 RIPK1 (0.35) RAB9ANPC1L3MBTL1ALDH1A1HPGD
SCHEMBL14868723 0.80 ALOX5 (0.38) RAB9ANPC1L3MBTL1ALDH1A1HPGD
SCHEMBL24433696 0.73 SMN1; SMN2 (0.32) ALDH1A1KMT2AMEN1
SCHEMBL14868664 0.72 ALOX5 (0.39) RAB9ANPC1L3MBTL1ALDH1A1HPGD
SCHEMBL14868666 0.71 ADRA2A (0.38) RAB9ANPC1L3MBTL1ALDH1A1RIPK1
SCHEMBL6659364 0.70 TAAR1 (0.45) RAB9ANPC1L3MBTL1ALDH1A1HPGD
Iodide SCHEMBL27926075 0.69 TAAR1 (0.43) RAB9ANPC1L3MBTL1ALDH1A1HPGD
SCHEMBL14868721 0.69 RAB9A (0.46) RAB9ANPC1L3MBTL1ALDH1A1HPGD
SCHEMBL14868665 0.69 RAB9A (0.46) RAB9ANPC1L3MBTL1ALDH1A1POLB
SCHEMBL1025241 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668031-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2020-06-02 US disclosed
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2019-03-14 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 (2 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-10668031-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 RAB9A 2425/4885NPC1 405/4885L3MBTL1 4566/4885
US-20190076380-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GPR119 RAB9A 2425/4885NPC1 405/4885L3MBTL1 4566/4885

“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.