SCHEMBL3272823

SCHEMBL3272823

Clc1cncc(-c2ccco2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 4/20 0.45
ALOX15 P16050 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 3/20 0.45
BLM P54132 3/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 2/20 0.45
CASP1 P29466 2/20 0.45
PTPN7 P35236 2/20 0.45
RECQL P46063 2/20 0.45
CASP7 P55210 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
USP2 O75604 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL3163523 0.86 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL5000800 0.80 CASP3 (0.51) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL3533444 0.78 PDE10A (0.46) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL30562824 0.78 PDE10A (0.46) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL3063935 0.78 MAPT (0.53) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL4140166 0.78 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL31507521 0.77 KDM4E (0.50) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL26684165 0.77 KDM4E (0.50) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL4141663 0.74 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL27773512 0.74 PTGS1 (0.42) ALDH1A1MAPTKDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
CN-100451016-C Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2009-01-14 CN disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
CN-1876648-A Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2006-12-13 CN disclosed
CN-1267424-C Piperazinylpyrazine compounds as agonists or antagonists of the 5-hydroxytryptamine 5 HT-2 receptor BIOVITRUM AB (SE) 2006-08-02 CN disclosed
CN-1479727-A Piperazinylpyrazine compounds as agonists or antagonists of the 5-hydroxytryptamine 5 HT-2 receptor �Ȱ�ά����ķ�ɷݹ�˾ 2004-03-03 CN 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

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 ALDH1A1 288/4885MAPT 3977/4885KDM4E 1971/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ALDH1A1 288/4885MAPT 3977/4885KDM4E 1971/4885

“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.