SCHEMBL3929940

SCHEMBL3929940

NCCCN(CC(=O)O)Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 1/20 0.53
LIN28A Q9H9Z2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CXCR4 P61073 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HRH1 P35367 2/20 0.45
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL4094117 0.95 CXCR4 (0.50) SMN1; SMN2MAPTLIN28ATDP1CXCR4
SCHEMBL2474794 0.95 CXCR4 (0.50) SMN1; SMN2MAPTLIN28ATDP1CXCR4
SCHEMBL8507962 0.92 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLIN28ATDP1HRH1
SCHEMBL12453816 0.91 SMN1; SMN2 (0.59) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL8211406 0.89 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL8208011 0.89 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL2818579 0.88 SMN1; SMN2 (0.68) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL29574935 0.87 SMN1; SMN2 (0.71) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL8208243 0.87 SMN1; SMN2 (0.66) SMN1; SMN2MAPTLIN28ATDP1KMT2A
SCHEMBL8209122 0.87 TDP1 (0.66) SMN1; SMN2MAPTLIN28ATDP1CHRM2

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-7585852-B2 Cobalamine derivatives useful for diagnosis and treatment of abnormal cellular proliferation SOLIDAGO AG (CH) 2009-09-08 US disclosed
US-20070155692-A1 Cobalamine derivatives useful for diagnosis and treatment of abnormal cellular proliferation SOLIDAGO AG (CH) 2007-07-05 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-20070155692-A1 Cobalamine derivatives useful for diagnosis and treatment of abnormal cellular proliferation MMAB, SLC19A2, FABP2 SMN1; SMN2 2291/4885MAPT 3745/4885LIN28A 2262/4885

“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.