SCHEMBL12426518

SCHEMBL12426518

CCCN(CCC)CCCCN(CC(=O)OCC)Cc1ccc(CNCc2nccn2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LTA4H P09960 1/20 0.33
FPR2 P25090 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MLLT1 Q03111 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL1638006 0.89 CXCR4 (0.60) CXCR4MEN1KMT2ALTA4HPPARG
SCHEMBL2201359 0.85 CXCR4 (0.47) CXCR4MEN1KMT2AMLLT1
SCHEMBL2189962 0.83 CXCR4 (0.73) CXCR4MEN1KMT2ALTA4HPPARG
SCHEMBL1637225 0.83 CXCR4 (0.62) CXCR4MEN1KMT2ALTA4HFPR2
SCHEMBL1637333 0.82 CXCR4 (0.61) CXCR4MEN1KMT2ASMN1; SMN2
SCHEMBL12426515 0.81 CXCR4 (0.59) CXCR4LTA4HSMN1; SMN2PPARGPPARA
SCHEMBL2201355 0.79 KMT2A (0.45) CXCR4MEN1KMT2A
SCHEMBL12426447 0.78 CXCR4 (0.41) CXCR4LTA4HPPARGPPARA
SCHEMBL1638428 0.78 DRD4 (0.52) CXCR4MEN1KMT2ASMN1; SMN2
SCHEMBL1638752 0.78 CXCR4 (0.55) CXCR4MEN1KMT2AFPR2

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-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 CXCR4 2546/4885MEN1 1672/4885KMT2A 2823/4885

“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.