SCHEMBL6504719

SCHEMBL6504719

O=C(CC1SC(NCC2CCCCC2)=NC1=O)NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
KMT2A Q03164 3/20 0.49
EPHX1 P07099 2/20 0.49
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6427333 0.88 ALDH1A1 (0.44) HPGDEPHX1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6390865 0.85 KMT2A (0.46) HPGDKMT2AEPHX1ALDH1A1SMN1; SMN2
SCHEMBL1605522 0.85 KDM4C (0.38) KMT2AEPHX1ALDH1A1RECQLMEN1
SCHEMBL6498171 0.83 EPHX1 (0.40) HPGDKMT2AEPHX1ALDH1A1LMNA
SCHEMBL6498178 0.83 EPHX1 (0.40) HPGDKMT2AEPHX1ALDH1A1LMNA
SCHEMBL6427044 0.81 TSHR (0.47) HPGDKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6427385 0.81 TSHR (0.47) HPGDKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6503596 0.81 TSHR (0.47) HPGDKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6428725 0.79 ALDH1A1 (0.59) HPGDKMT2AEPHX1ALDH1A1SMN1; SMN2
SCHEMBL6393753 0.79 SLC6A2 (0.35) ALDH1A1LMNARECQLPOLBKDM4E

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 66/4885KMT2A 3213/4885EPHX1 299/4885

“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.