SCHEMBL16680407

SCHEMBL16680407

N=C(NC(=N)Nc1cccc(Oc2ccccc2)c1)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
FAAH O00519 1/20 0.48
BRAF P15056 3/20 0.48
KDR P35968 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL16693931 0.81 F9 (0.53) EPHX2FAAHMAPTKMT2APLA2G1B
SCHEMBL4440400 0.78 NPC1 (0.56) EPHX2FAAHBRAFKDRHDAC3
SCHEMBL13956786 0.75 EPHX1 (0.62) NPC1RAB9AMAPTHTTMEN1
SCHEMBL16692450 0.74 NPC1 (0.72) EPHX2KDRNPC1RAB9AMAPT
SCHEMBL14126108 0.74 NPC1 (0.51) EPHX2NPC1RAB9AMAPTHTT
SCHEMBL29937987 0.74 NPC1 (0.54) EPHX2FAAHBRAFKDRHDAC3
SCHEMBL4979481 0.74 HPGD (0.59) NPC1RAB9AMAPTHTTMEN1
SCHEMBL4104600 0.74 MAPT (0.56) EPHX2FAAHNPC1RAB9AMAPT
SCHEMBL1241674 0.73 NPC1 (0.60) EPHX2FAAHBRAFKDRHDAC3
SCHEMBL11807521 0.73 HPGD (0.49) NPC1RAB9AMAPTHTTMEN1

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 9 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 claimed
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 US claimed
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2019-05-16 US disclosed
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-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
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 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 EPHX2 3607/4885FAAH 4763/4885BRAF 69/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 EPHX2 3607/4885FAAH 4763/4885BRAF 69/4885
US-10221190-B2 Biguanide compounds and use thereof GCKR, GCG, SLC5A2 EPHX2 3607/4885FAAH 4763/4885BRAF 69/4885

“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.