SCHEMBL6161246

SCHEMBL6161246

O=C1C[C@@H](SCCl)CN1Cc1ccc(Oc2ccc(F)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.45
HTT P42858 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MLNR O43193 3/20 0.41
MMP13 P45452 4/20 0.39
MMP2 P08253 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
P2RX3 P56373 2/20 0.39
PRKAA2 P54646 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSPB1 P04792 1/20 0.37

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
SCHEMBL6158886 0.89 EGLN1 (0.48) EGLN1HTTHCRTR1HCRTR2ALDH1A1
SCHEMBL6158883 0.89 EGLN1 (0.48) EGLN1HTTHCRTR1HCRTR2ALDH1A1
SCHEMBL6160366 0.88 EGLN1 (0.47) EGLN1HTTHCRTR1HCRTR2ALDH1A1
SCHEMBL6159088 0.85 EGLN1 (0.46) EGLN1HTTHCRTR1HCRTR2MLNR
SCHEMBL6160335 0.84 EGLN1 (0.48) EGLN1HTTHCRTR1HCRTR2ALDH1A1
SCHEMBL6161179 0.84 EGLN1 (0.49) EGLN1HTTMLNRMMP13MMP2
Hydrochloric Acid SCHEMBL6161361 0.82 EGLN1 (0.46) EGLN1HTTHCRTR1HCRTR2MLNR
SCHEMBL6160758 0.82 EGLN1 (0.51) EGLN1HTTHCRTR1HCRTR2ALDH1A1
SCHEMBL6162075 0.82 EGLN1 (0.51) EGLN1HTTHCRTR1HCRTR2ALDH1A1
Hydrochloric Acid SCHEMBL6159472 0.81 EGLN1 (0.50) EGLN1HTTHCRTR1HCRTR2ALDH1A1

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 EGLN1 841/4885HTT 581/4885HCRTR1 2881/4885

“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.