SCHEMBL6499328

SCHEMBL6499328

C[C@@H](NC1=NC(=O)C(CC(=O)N2CCc3ccccc3C2)S1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DPP8 Q6V1X1 4/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KEAP1 Q14145 1/20 0.43
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6508183 1.00 ALDH1A1 (0.50) ALDH1A1MAPTTDP1DPP8POLB
SCHEMBL6426510 0.86 ALDH1A1 (0.57) ALDH1A1MAPTTDP1DPP8POLB
SCHEMBL6427188 0.86 ALDH1A1 (0.57) ALDH1A1MAPTTDP1DPP8POLB
SCHEMBL6393517 0.85 ALDH1A1 (0.55) ALDH1A1MAPTTDP1DPP8POLB
SCHEMBL6507627 0.84 GRM7 (0.46) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL6428159 0.84 GRM7 (0.46) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL6386456 0.83 TSHR (0.44) ALDH1A1POLBKMT2AHTTCYP2C19
SCHEMBL6389744 0.83 TSHR (0.44) ALDH1A1POLBKMT2AHTTCYP2C19
SCHEMBL6428776 0.83 ALDH1A1 (0.49) ALDH1A1MAPTTDP1DPP8POLB
SCHEMBL6427907 0.82 ALDH1A1 (0.50) ALDH1A1MAPTTDP1DPP8POLB

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 ALDH1A1 67/4885MAPT 3607/4885TDP1 804/4885

“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.