SCHEMBL3117451

SCHEMBL3117451

CCNC(=O)c1ccc(-n2cc(C(=O)Nc3cccc(F)c3)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.55
DDT P30046 3/20 0.54
DDX3X O00571 5/20 0.53
ALK Q9UM73 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
APP P05067 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL3116253 0.85 MIF (0.59) MIFDDTMEN1KMT2ANAMPT
SCHEMBL15355919 0.82 MIF (0.58) MIFDDT
SCHEMBL3099909 0.75 RIPK1 (0.46) DDX3XSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3107316 0.74 ACKR3 (0.57) MIFRAB9A
SCHEMBL17978475 0.69 DDX3X (1.00) DDX3X
SCHEMBL17978592 0.69 DDX3X (1.00) DDX3XMEN1KMT2A
SCHEMBL22736963 0.68 FOLH1 (0.60) MIF
SCHEMBL13480551 0.68 KMT2A (0.62) NPC1HPGDRAB9AMEN1KMT2A
SCHEMBL31475190 0.68 HDAC1 (0.62) SMN1; SMN2NPC1HPGDRAB9AMEN1
SCHEMBL7217481 0.68 HDAC1 (0.62) SMN1; SMN2NPC1HPGDRAB9AMEN1

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 MIF 4297/4885DDT 4203/4885DDX3X 3591/4885

“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.