SCHEMBL6507694

SCHEMBL6507694

O=C1N=C(NC2CCCCCC2)SC1CC(=O)N1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.43
NAMPT P43490 5/20 0.40
DPP8 Q6V1X1 3/20 0.40
DPP4 P27487 2/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KEAP1 Q14145 1/20 0.38
CALCRL Q16602 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6426510 0.93 ALDH1A1 (0.57) ALDH1A1MAPTTDP1POLBDPP8
SCHEMBL6427188 0.93 ALDH1A1 (0.57) ALDH1A1MAPTTDP1POLBDPP8
SCHEMBL6393517 0.92 ALDH1A1 (0.55) ALDH1A1MAPTTDP1POLBDPP8
SCHEMBL6428776 0.87 ALDH1A1 (0.49) ALDH1A1MAPTTDP1POLBDPP8
SCHEMBL6386550 0.85 NAMPT (0.42) ALDH1A1MAPTTDP1POLBNAMPT
SCHEMBL6501368 0.83 TSHR (0.49) ALDH1A1POLBSMN1; SMN2HTTKDM4E
SCHEMBL6502742 0.83 TSHR (0.49) ALDH1A1POLBSMN1; SMN2HTTKDM4E
SCHEMBL6429260 0.83 TSHR (0.49) ALDH1A1POLBSMN1; SMN2HTTKDM4E
SCHEMBL6425891 0.83 TSHR (0.49) ALDH1A1POLBSMN1; SMN2HTTKDM4E
SCHEMBL6427136 0.83 TSHR (0.49) ALDH1A1POLBSMN1; SMN2HTTKDM4E

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.