SCHEMBL13698356

SCHEMBL13698356

CC(=O)N(C)c1ccc(-c2cc(-c3ccc(N(C)C(C)=O)cc3C)cc(-c3ccc(N(C)C(C)=O)cc3C)c2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
PDK2 Q15119 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B1 P14061 1/20 0.40
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
BRD4 O60885 1/20 0.37
LIN28A Q9H9Z2 1/20 0.37
LMNA P02545 2/20 0.36
AHR P35869 1/20 0.35
FSCN1 Q16658 1/20 0.35
HTT P42858 1/20 0.35
ESR2 Q92731 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL13698358 0.81 AGPAT2 (0.42) KMT2AHSD17B1POLBMAPTLMNA
SCHEMBL4167912 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL850628 0.76 ALDH1A1 (0.46) ALDH1A1PDK2SMN1; SMN2RAB9ANPC1
SCHEMBL10885379 0.76 S100B (0.50) ALDH1A1PDK2SMN1; SMN2RAB9ANPC1
SCHEMBL14426576 0.76 GPBAR1 (0.48) ALDH1A1PDK2SMN1; SMN2RAB9ANPC1
SCHEMBL9839331 0.75 DHODH (0.41) ALDH1A1RAB9ANPC1KMT2AHSD17B1
SCHEMBL9796263 0.74 POLB (0.49) ALDH1A1PDK2SMN1; SMN2RAB9ANPC1
SCHEMBL13553363 0.74 ALDH1A1 (0.44) ALDH1A1PDK2SMN1; SMN2RAB9ANPC1
SCHEMBL14341655 0.73 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL10048011 0.73 ALDH1A1 (0.50) ALDH1A1PDK2SMN1; SMN2RAB9ANPC1

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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
US-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
WO-2007064227-A1 MULTIMERIC MAGENTIC RESONANCE CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-06-07 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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS MAG, MSR1, FABP7 ALDH1A1 2448/4885PDK2 2423/4885SMN1; SMN2 36/4885

“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.