SCHEMBL6499658

SCHEMBL6499658

CN(CCC1SC(NC2CCCCCCC2)=NC1=O)C(=O)c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL6499438 0.82 HPGD (0.44) CXCR2ALDH1A1TDP1TSHRHCRTR1
SCHEMBL6390900 0.81 CCNA2 (0.41) ALDH1A1RAB9ANPC1CDK1CCNB1
SCHEMBL6392368 0.81 CCNA2 (0.41) ALDH1A1RAB9ANPC1CDK1CCNB1
SCHEMBL6388703 0.81 CCNA2 (0.41) ALDH1A1RAB9ANPC1CDK1CCNB1
SCHEMBL6390992 0.81 JAK2 (0.33) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL6504603 0.79 LMNA (0.36) RAB9ANPC1LMNA
SCHEMBL6387573 0.77 SMN1; SMN2 (0.44) HCRTR1RAB9ANPC1CDK1CCNB1
SCHEMBL6504984 0.77 SMN1; SMN2 (0.44) HCRTR1RAB9ANPC1CDK1CCNB1
SCHEMBL6388874 0.77 SMN1; SMN2 (0.44) HCRTR1RAB9ANPC1CDK1CCNB1
SCHEMBL6509241 0.76 KMT2A (0.36) ALDH1A1TDP1TSHRRAB9ANPC1

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 CXCR2 1556/4885ALDH1A1 67/4885TDP1 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.