SCHEMBL4852046

SCHEMBL4852046

Cc1cc(CNC(=N)NC(=N)N)c(C)o1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.36
ROCK2 O75116 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.30
APOBEC3A P31941 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10310290 0.87 ALOX5 (0.46) ALOX5MAPTKDM4EROCK2RAB9A
SCHEMBL6692747 0.78 ALPG (0.31)
SCHEMBL4854034 0.75 ALOX5 (0.42) ALOX5MAPTMEN1KMT2AHPGD
SCHEMBL4854667 0.75
SCHEMBL6694826 0.73 CHRM2 (0.42) ALOX5MAPTKDM4EMEN1KMT2A
SCHEMBL4846413 0.73
SCHEMBL14872475 0.72
SCHEMBL17198839 0.72 NPC1 (0.47) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL4856944 0.72 L3MBTL1 (0.32)
SCHEMBL4846961 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396858-B2 Biguanide derivative and therapeutic agent for diabetes containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-07-08 US disclosed
EP-1500656-B1 BIGUANIDE DERIVATIVES AND THEIR USE AS ANTIDIABETIC DRUGS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-12-12 EP disclosed
US-20050124693-A1 Biguanide derivative and therapeutic agent for diabetes containing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-09 US disclosed
EP-1500656-A1 BIGUANIDE DERIVATIVE AND THERAPEUTIC AGENT FOR DIABETES CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-26 EP 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 (1 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-20050124693-A1 Biguanide derivative and therapeutic agent for diabetes containing the same SLC5A1, SLC5A2, GLP1R ALOX5 3114/4885MAPT 4241/4885KDM4E 3416/4885

“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.