SCHEMBL20151894

SCHEMBL20151894

CCN1C(=O)c2ccccc2-c2nnn(CC)c2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
MPI P34949 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 3/20 0.43
TP53 P04637 1/20 0.43
TOP2A P11388 1/20 0.43
IDO1 P14902 3/20 0.40
TDO2 P48775 3/20 0.40
LMNA P02545 3/20 0.40
MCL1 Q07820 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC9A1 P19634 1/20 0.39

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
SCHEMBL20151895 0.95 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDCASP1MPI
SCHEMBL25603214 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDCASP1MPI
SCHEMBL25969880 0.83 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL18122193 0.77 TOP2A (0.56) SMN1; SMN2HPGDHTTTOP2AIDO1
SCHEMBL22473980 0.75 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HPGDCASP1MPI
SCHEMBL18272794 0.74 TTR (0.49) ALDH1A1HPGDMAPTTOP2AIDO1
SCHEMBL20693320 0.72 SLC9A1 (0.38) ALDH1A1SMN1; SMN2HPGDHTTTP53
SCHEMBL16980287 0.72 CHRM2 (0.34) ALDH1A1IDO1TDO2DRD2HTR6
SCHEMBL25890747 0.72 TDO2 (0.38) ALDH1A1SMN1; SMN2HPGDHTTIDO1
SCHEMBL27112668 0.71 TOP2A (0.36) ALDH1A1SMN1; SMN2HPGDHTTTP53

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-20180133340-A1 ANTIBODY-DRUG CONJUGATES CHO Pharma Inc. (TW) 2018-05-17 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-20180133340-A1 ANTIBODY-DRUG CONJUGATES CSGALNACT1, ST6GAL1, PA2G4 ALDH1A1 303/4885SMN1; SMN2 1622/4885HPGD 1868/4885

“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.