SCHEMBL7159158

SCHEMBL7159158

Cc1cc(C)cc(C)c1.Cc1ccc(S(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)cc1.Cl[Ru]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
HPN P05981 2/20 0.42
PLAU P00749 1/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 3/20 0.40

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
SCHEMBL20595935 0.96 NPSR1 (0.50) NPSR1ALDH1A1HTTKMT2ALMNA
SCHEMBL20595936 0.96 NPSR1 (0.50) NPSR1ALDH1A1HTTKMT2ALMNA
SCHEMBL7521944 0.95 NPSR1 (0.52) NPSR1ALDH1A1HTTKMT2ALMNA
SCHEMBL177000 0.95 NPSR1 (0.52) NPSR1ALDH1A1HTTKMT2ALMNA
SCHEMBL4859034 0.95 NPSR1 (0.52) NPSR1ALDH1A1HTTKMT2ALMNA
SCHEMBL7092708 0.94 NPSR1 (0.51) NPSR1ALDH1A1HTTKMT2ALMNA
Hydrochloric Acid SCHEMBL19716224 0.94 NPSR1 (0.51) NPSR1ALDH1A1HTTKMT2ALMNA
SCHEMBL2840439 0.94 NPSR1 (0.51) NPSR1ALDH1A1HTTKMT2ALMNA
SCHEMBL2844278 0.94 NPSR1 (0.51) NPSR1ALDH1A1HTTKMT2ALMNA
SCHEMBL258422 0.92 ALDH1A1 (0.53) NPSR1ALDH1A1HTTKMT2ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545188-B2 Catalytic hydrogenation a acetophenone compound or corresponding imine compound AVECIA LIMITED (GB) 2003-04-08 US disclosed
US-20020156282-A1 Transfer hydrogenation process and catalyst AVECIA LIMITED 2002-10-24 US disclosed
EP-0971865-B1 TRANSFER HYDROGENATION PROCESS AND CATALYST AVECIA LTD (GB) 2002-08-14 EP disclosed
US-6372931-B1 CATALYST COMPRISING COMPLEX OF TRANSITION METAL, CHELATING LIGAND AND CYCLOPENTADIENYL GROUP AVECIA LIMITED (GB) 2002-04-16 US disclosed
EP-0971865-A1 TRANSFER HYDROGENATION PROCESS AND CATALYST Avecia Limited (GB) 2000-01-19 EP disclosed
WO-1998042643-A1 TRANSFER HYDROGENATION PROCESS AND CATALYST AVECIA LIMITED (GB) 1998-10-01 WO 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-20020156282-A1 Transfer hydrogenation process and catalyst HRH3, HRH4, HRH1 NPSR1 2147/4885ALDH1A1 1121/4885HTT 512/4885

“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.