SCHEMBL6162789

SCHEMBL6162789

O=C1C[C@H](O)CN1Cc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
EGLN1 Q9GZT9 10/20 0.50
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6158889 0.88 EGLN1 (0.51) HCRTR1HCRTR2EGLN1GRNSORT1
SCHEMBL6160758 0.88 EGLN1 (0.51) HCRTR1HCRTR2EGLN1ALDH1A1KMT2A
SCHEMBL6157546 0.85 HPGD (0.50) HCRTR1HCRTR2EGLN1HPGDTSHR
SCHEMBL6157539 0.85 HPGD (0.50) HCRTR1HCRTR2EGLN1HPGDTSHR
SCHEMBL6159065 0.85 HPGD (0.50) HCRTR1HCRTR2EGLN1HPGDTSHR
SCHEMBL6162044 0.82 EGLN1 (0.40) HCRTR1HCRTR2EGLN1HPGD
SCHEMBL6159518 0.82 HCRTR1 (0.48) HCRTR1HCRTR2EGLN1GRNSORT1
SCHEMBL6158827 0.80 GRM2 (0.53) HPGDTSHR
SCHEMBL6158119 0.80 EGLN1 (0.48) HCRTR1HCRTR2EGLN1GRNSORT1
SCHEMBL6158150 0.79 EGLN1 (0.49) HCRTR1HCRTR2EGLN1GRNSORT1

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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. 2005-07-28 US disclosed
EP-1500658-A1 NOVEL THIOL DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-01-26 EP 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-20050165064-A1 Novel thiol derivative, process for producing the same and use thereof TST, QSOX1, MMP1 HCRTR1 2881/4885HCRTR2 2908/4885EGLN1 841/4885

“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.