SCHEMBL6498178

SCHEMBL6498178

O=C(CC1SC(NCC2CCCCC2)=NC1=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CPB2 Q96IY4 4/20 0.34
EPHX2 P34913 2/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
LMNA P02545 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 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
SCHEMBL6498171 1.00 EPHX1 (0.40) EPHX1MEN1NPC1RAB9AKMT2A
SCHEMBL6504719 0.83 HPGD (0.49) EPHX1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6426256 0.81 KMT2A (0.49) EPHX1MEN1NPC1RAB9AKMT2A
SCHEMBL6427333 0.81 ALDH1A1 (0.44) EPHX1NPC1RAB9AALDH1A1HPGD
SCHEMBL1605522 0.78 KDM4C (0.38) EPHX1MEN1KMT2AALDH1A1
SCHEMBL6427385 0.74 TSHR (0.47) MEN1KMT2AALDH1A1HPGD
SCHEMBL1605816 0.74 EPHX1 (0.40) EPHX1MEN1NPC1RAB9AKMT2A
SCHEMBL6427044 0.74 TSHR (0.47) MEN1KMT2AALDH1A1HPGD
SCHEMBL1605817 0.74 EPHX1 (0.40) EPHX1MEN1NPC1RAB9AKMT2A
SCHEMBL6503596 0.74 TSHR (0.47) MEN1KMT2AALDH1A1HPGD

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed

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 EPHX1 299/4885MEN1 979/4885NPC1 277/4885

“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.