SCHEMBL16679452

SCHEMBL16679452

N#CN(C(=N)N)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
NPY1R P25929 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPAS1 Q99814 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
SCHEMBL8854244 0.81 KMT2A (0.31) MAPTTDP1NPSR1MEN1KMT2A
SCHEMBL31745512 0.79 SERPINE1 (0.38) MAPTALDH1A1TDP1GAANPC1
SCHEMBL11580654 0.73 EPHX2 (0.44) MAPTGAAKMT2AEPHX2KDM4E
SCHEMBL2378818 0.73 LMNA (0.41) MAPTALDH1A1TDP1GAANPC1
SCHEMBL594774 0.69 MAPT (0.43) MAPTALDH1A1TDP1GAANPC1
SCHEMBL6575822 0.69 SERPINE1 (0.45) MAPTALDH1A1TDP1GAANPC1
SCHEMBL429697 0.69 ST14 (0.59) GRIN2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1550092 0.67 ST14 (0.57) SLC6A2SLC6A4
SCHEMBL8386558 0.67 EPHX2 (0.47) MAPTGAANPC1MEN1TSHR
SCHEMBL254957 0.66 MAPT (0.56) MAPTALDH1A1TDP1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2019-05-16 US disclosed
US-10221190-B2 Biguanide compounds and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2019-03-05 US disclosed
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 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 (3 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-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 MAPT 4005/4885ALDH1A1 2430/4885TDP1 3647/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 MAPT 4005/4885ALDH1A1 2430/4885TDP1 3647/4885
US-10221190-B2 Biguanide compounds and use thereof GCKR, GCG, SLC5A2 MAPT 4005/4885ALDH1A1 2430/4885TDP1 3647/4885

“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.