SCHEMBL6498400

SCHEMBL6498400

O=C1N=C(NC2CCCCCC2)SC1CCNc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
ELANE P08246 1/20 0.38
NPY5R Q15761 1/20 0.37
LMNA P02545 5/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
EPHX2 P34913 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 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
Bromide SCHEMBL6426590 0.99 EPHX1 (0.43) EPHX1ELANENPY5RLMNAALDH1A1
Bromide SCHEMBL6500845 0.99 EPHX1 (0.43) EPHX1ELANENPY5RLMNAALDH1A1
SCHEMBL6428875 0.86 GBA1 (0.34) EPHX1ALDH1A1MAPT
SCHEMBL6426173 0.85 EPHX1 (0.40) EPHX1LMNAALDH1A1SMN1; SMN2EPHX2
SCHEMBL6389539 0.83 DAPK3 (0.40) EPHX1LMNAALDH1A1EPHX2
SCHEMBL6387711 0.83 DAPK3 (0.40) EPHX1LMNAALDH1A1EPHX2
SCHEMBL6427826 0.81 KMT2A (0.45) LMNAALDH1A1PKMKDM4EHTT
SCHEMBL6427832 0.81 ALDH1A1 (0.33) ALDH1A1MAPT
Bromide SCHEMBL6508115 0.80 GLA (0.36) LMNAALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL6392221 0.79 EPHX2 (0.52) EPHX1LMNAALDH1A1KDM4ESMN1; SMN2

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 EPHX1 299/4885ELANE 999/4885NPY5R 1182/4885

“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.