SCHEMBL12522014

SCHEMBL12522014

Cc1ccc(-n2cc(C(=O)NCc3ccccc3)nn2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.77
ACKR3 P25106 7/20 0.61
DDT P30046 3/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RIPK1 Q13546 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL12450543 0.88 MIF (0.71) MIFACKR3DDTMEN1KMT2A
SCHEMBL18747441 0.88 MIF (0.73) MIFACKR3DDTMEN1KMT2A
SCHEMBL19147766 0.81 MIF (0.61) MIFACKR3DDTMEN1KMT2A
SCHEMBL3046758 0.77 SCD (0.77) MIF
SCHEMBL3477570 0.76 CA1 (0.57) ACKR3KMT2A
SCHEMBL73126 0.76 RIPK1 (0.62) MIFACKR3DDTRIPK1LMNA
SCHEMBL17883261 0.74 RIPK1 (0.63) MIFACKR3RIPK1LMNAALDH1A1
SCHEMBL17883296 0.74 RIPK1 (0.63) MIFACKR3RIPK1NPC1RAB9A
SCHEMBL3116253 0.74 MIF (0.59) MIFACKR3DDTMEN1KMT2A
SCHEMBL17883253 0.73 RIPK1 (0.58) MIFACKR3DDTRIPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120237444-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2012-09-20 US disclosed
WO-2011070136-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2011-06-16 WO 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-20120237444-A1 IODINE RADIOLABELLING METHOD BTD, BTN3A1, BTF3 MIF 1070/4885ACKR3 184/4885DDT 2905/4885

“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.