SCHEMBL21984535

SCHEMBL21984535

CN(C)c1nnc(N(C)c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.37
CHKA P35790 7/20 0.37
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CES1 P23141 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
EGFR P00533 2/20 0.33
CSF1R P07333 2/20 0.33
CHKB Q9Y259 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL14869282 0.82 KCNH2 (0.38) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL14868880 0.81 PIM1 (0.46) ALDH1A1HPGDCHKAPOLBEGFR
SCHEMBL14869326 0.80 FLT1 (0.36) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL14869054 0.74 KDM4E (0.46) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL5213200 0.72 CHKA (0.55) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL14868908 0.72 LMNA (0.36) HSD17B10MAPT
SCHEMBL14869051 0.71
SCHEMBL14869346 0.70 MEN1 (0.44) ALDH1A1ALOX15MAPTPOLBKCNH2
Ethane SCHEMBL6986774 0.70 CHKA (0.53) ALDH1A1KDM4EHPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL6414496 0.70 CHKA (0.53) ALDH1A1KDM4EHPGDALOX15HSD17B10

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-11065215-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMA (US) LLC (US) 2021-07-20 US disclosed
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 2020-05-07 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-11065215-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 ALDH1A1 980/4885KDM4E 2303/4885HPGD 929/4885
US-20200138751-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG ALDH1A1 1040/4885KDM4E 2197/4885HPGD 1026/4885

“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.