SCHEMBL13408656

SCHEMBL13408656

CN/C=C1\C(=O)N(c2ccc(Br)cc2C)N=C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 5/20 0.41
KMT2A Q03164 9/20 0.40
MEN1 O00255 8/20 0.40
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PSMD14 O00487 1/20 0.37
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36

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
SCHEMBL13391220 0.86 AMY1A (0.39) AMY1AKMT2AMEN1MAPTL3MBTL1
SCHEMBL9524475 0.81 AMY1A (0.60) AMY1AKMT2AMEN1MAPTL3MBTL1
SCHEMBL9727197 0.81 AMY1A (0.60) AMY1AKMT2AMEN1MAPTL3MBTL1
SCHEMBL13408638 0.70 KMT2A (0.59) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL9526187 0.68 AMY1A (0.57) AMY1AKMT2AMEN1MAPTL3MBTL1
SCHEMBL9727237 0.68 KDM4E (0.45) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL9727241 0.68 KDM4E (0.45) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL9528601 0.67 KDM4E (0.44) AMY1AKMT2AMEN1MAPTL3MBTL1
SCHEMBL9525658 0.62 CCKBR (0.38) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL12100471 0.62 MEN1 (0.41) KMT2AMEN1MAPTL3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS CELTAXSYS, INC. 2010-04-15 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 (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-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS PMAIP1, CDC42, DCX AMY1A 4646/4885KMT2A 4738/4885MEN1 4129/4885

“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.