SCHEMBL5585467

SCHEMBL5585467

Clc1cccc(OCc2cccs2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HTT P42858 1/20 0.37
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
DRD4 P21917 1/20 0.36
MAPK14 Q16539 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
KCNN1 Q92952 1/20 0.35
KCNN2 Q9H2S1 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
MAPT P10636 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL3110288 0.81 HTR7 (0.46) HTTF9F10MAPK14HPGD
SCHEMBL5250773 0.78 TDP1 (0.42) HTTF9F10NPC1RAB9A
SCHEMBL7530934 0.75 CYP2D6 (0.45) HTTMAPK14NPC1HPGDGABRA1
SCHEMBL8551819 0.73 CYP11B1 (0.41) HDAC1HDAC6HDAC5DRD4CYP11B1
SCHEMBL8605948 0.73 POLB (0.40) HTTMAPK14SMN1; SMN2ALDH1A1
SCHEMBL29518247 0.73 GRM5 (0.46) HDAC1HDAC6HDAC5CYP11B1CYP11B2
SCHEMBL229009 0.73 GRM5 (0.46) HDAC1HDAC6HDAC5CYP11B1CYP11B2
SCHEMBL23110546 0.71 MAPK14 (0.43) HTTMAPK14NPC1RAB9AHPGD
SCHEMBL3111982 0.71 ADRB1 (0.46) HTTHPGDCYP3A4ALDH1A1LMNA
SCHEMBL8966043 0.71 BCAT2 (0.41) HTTF9F10HPGDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO disclosed
EP-0693490-B1 2-Phenoxy-6-thienylmethyloxypyridine derivative, process for producing the same, and herbicidal composition KUREHA CHEMICAL IND CO LTD (JP) 1998-09-09 EP disclosed
US-5624942-A 2-phenoxy-6-thienylmethyloxypyridine derivative and herbicidal composition containing same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-04-29 US disclosed
EP-0693490-A1 2-Phenoxy-6-thienylmethyloxypyridine derivative, process for producing the same, and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-24 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 (2 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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HDAC1 666/4885HDAC6 748/4885HDAC5 1388/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HDAC1 666/4885HDAC6 748/4885HDAC5 1388/4885

“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.