SCHEMBL6499438

SCHEMBL6499438

CN(CCC1SC(NC2CCCCCCC2)=NC1=O)C(=O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
P2RX7 Q99572 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CXCR2 P25025 2/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
RAB9A P51151 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
NPC1 O15118 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCR6 P51684 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6504603 0.89 LMNA (0.36) RAB9ANPC1
SCHEMBL6499658 0.82 CXCR2 (0.36) TSHRCXCR2RAB9ATDP1ALDH1A1
SCHEMBL6393301 0.82 RAB9A (0.43) HPGDP2RX7RAB9ATDP1ALDH1A1
SCHEMBL6394209 0.82 RAB9A (0.43) HPGDP2RX7RAB9ATDP1ALDH1A1
SCHEMBL6390207 0.82 RAB9A (0.43) HPGDP2RX7RAB9ATDP1ALDH1A1
SCHEMBL6506450 0.74 CHRM1 (0.41) HPGDP2RX7RAB9ATDP1NPC1
SCHEMBL6502145 0.74 NPC1 (0.50) TSHRRAB9AEPHX2ALDH1A1NPC1
SCHEMBL14271955 0.73 NPC1 (0.41) HPGDTSHRRAB9AALDH1A1NPC1
SCHEMBL6426518 0.73 NPC1 (0.48) HPGDP2RX7RAB9ATDP1ALDH1A1
SCHEMBL6428237 0.73 PKM (0.48) RAB9AEPHX2ALDH1A1MAPTNPC1

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 HPGD 66/4885TSHR 2078/4885P2RX7 3883/4885

“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.