SCHEMBL16679199

SCHEMBL16679199

N#CN(C(=N)N)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.44
F10 P00742 6/20 0.44
FURIN P09958 2/20 0.44
AKR1C3 P42330 1/20 0.41
MAOB P27338 1/20 0.41
ALOX5 P09917 3/20 0.41
PARP10 Q53GL7 2/20 0.39
TNKS O95271 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4259665 0.81 KMT2A (0.40) F2F10MEN1ALDH1A1LMNA
SCHEMBL19371450 0.75 C1S (0.44) ALDH1A1C1S
SCHEMBL8854244 0.71 KMT2A (0.31) MEN1MAPTKMT2ATDP1PRSS1
SCHEMBL26514757 0.70 MAOB (0.55) F2F10FURINAKR1C3MAOB
Diphenylether SCHEMBL28792708 0.69 LTA4H (0.67) F2F10FURINMAOBPARP10
SCHEMBL3425889 0.68 ALOX5 (0.50) AKR1C3MAOBALOX5PARP10TNKS
SCHEMBL5669695 0.67 BCHE (0.53) AKR1C3MAOBALOX5ALDH1A1TSHR
SCHEMBL8943978 0.66 MAOB (0.48) AKR1C3MAOBMEN1ALDH1A1GAA
SCHEMBL19371437 0.66 POLB (0.44) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL24106924 0.65 MAOB (0.48) AKR1C3MAOBMEN1ALDH1A1GAA

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 F2 4878/4885F10 2857/4885FURIN 3121/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 F2 4878/4885F10 2857/4885FURIN 3121/4885
US-10221190-B2 Biguanide compounds and use thereof GCKR, GCG, SLC5A2 F2 4878/4885F10 2857/4885FURIN 3121/4885

“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.