SCHEMBL1019554

SCHEMBL1019554

CCCN(Cc1ccccc1)C[C@H]1COc2ccc(SC)c(F)c2O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.34
TP53 P04637 1/20 0.33
CA2 P00918 1/20 0.33
NR1D1 P20393 1/20 0.33
HPGD P15428 2/20 0.32
ALOX5 P09917 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
GLA P06280 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL1018053 0.92 LTA4H (0.40) LTA4HCA2NR1D1HPGDALOX5
SCHEMBL1018752 0.83 CA2 (0.39) LTA4HTP53CA2NR1D1HPGD
SCHEMBL1019545 0.83 KDM4E (0.41) LTA4HTP53CA2NR1D1HPGD
SCHEMBL1879135 0.75 CA2 (0.40) LTA4HCA2NR1D1HPGDALOX5
SCHEMBL1021465 0.74 KDM4E (0.49) LTA4HCA2NR1D1HPGDALOX5
SCHEMBL29516526 0.68 CA2 (0.56) TP53CA2HPGDALOX5MEN1
SCHEMBL18359049 0.68 CA2 (0.56) TP53CA2HPGDALOX5MEN1
SCHEMBL7286538 0.67 ALOX5 (0.49) LTA4HCA2NR1D1ALOX5MEN1
SCHEMBL7284699 0.65 ALOX5 (0.50) LTA4HCA2NR1D1HPGDALOX5
SCHEMBL7374182 0.65 NR1D1 (0.48) LTA4HCA2NR1D1ALOX5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 LTA4H 1989/4885TP53 4883/4885CA2 3728/4885

“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.