SCHEMBL683588

SCHEMBL683588

Cn1c(=O)c2c(ncn2CC(O)CN2CCN(Cc3ccccc3Cl)CC2)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
GAA P10253 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 6/20 0.56
LMNA P02545 4/20 0.56
POLB P06746 3/20 0.56
RXFP1 Q9HBX9 5/20 0.55
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADORA2B P29275 1/20 0.52
CASP1 P29466 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL683589 0.97 ALDH1A1 (0.54) ALDH1A1GAACYP3A4CYP2D6CYP2C9
SCHEMBL682803 0.89 SMN1; SMN2 (0.57) ALDH1A1GAASMN1; SMN2LMNAPOLB
SCHEMBL684000 0.88 SMN1; SMN2 (0.65) ALDH1A1GAASMN1; SMN2LMNAPOLB
SCHEMBL684353 0.87 SMN1; SMN2 (0.54) ALDH1A1GAASMN1; SMN2LMNAPOLB
SCHEMBL683975 0.85 LMNA (0.65) ALDH1A1GAASMN1; SMN2LMNAPOLB
SCHEMBL684337 0.84 SMN1; SMN2 (0.68) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL684003 0.83 SMN1; SMN2 (0.68) ALDH1A1GAASMN1; SMN2LMNAPOLB
SCHEMBL683977 0.83 SMN1; SMN2 (0.61) ALDH1A1GAASMN1; SMN2LMNAPOLB
SCHEMBL682806 0.83 LMNA (0.62) ALDH1A1GAASMN1; SMN2LMNAPOLB
SCHEMBL682800 0.83 RXFP1 (0.63) ALDH1A1GAASMN1; SMN2LMNAPOLB

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ALDH1A1 1565/4885GAA 1899/4885CYP3A4 4777/4885

“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.