SCHEMBL3464649

SCHEMBL3464649

CCCOc1cc(Br)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
CSNK2A1 P68400 2/20 0.47
KDM4E B2RXH2 6/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GCGR P47871 2/20 0.43

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
SCHEMBL11649440 0.85 CSNK2A1 (0.60) HPGDCSNK2A1KDM4ELMNASMN1; SMN2
SCHEMBL2848535 0.85 TSHR (0.47) HPGDLMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL13024337 0.84 L3MBTL1 (0.45) HPGDKDM4ELMNAALDH1A1MAPT
SCHEMBL8265598 0.84 HPGD (0.50) HPGDKDM4ELMNASMN1; SMN2NPC1
SCHEMBL23579385 0.83 ALDH1A1 (0.41) HPGDKDM4ELMNASMN1; SMN2NPC1
SCHEMBL7928370 0.82 HPGD (0.60) HPGDCSNK2A1KDM4ELMNASMN1; SMN2
SCHEMBL90673 0.82 KDM4E (0.51) HPGDKDM4ELMNASMN1; SMN2NPC1
SCHEMBL3464755 0.81 HTR2A (0.41) HPGDKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13184060 0.81 ALDH1A1 (0.47) HPGDKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL26667665 0.81 HPGD (0.54) HPGDCSNK2A1KDM4ELMNASMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994558-B2 Multicyclic compounds and methods of using same Karyopharm Therapeutics Inc. (US) 2018-06-12 US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS CULSHAW ANDREW JAMES 2008-11-27 US disclosed
CN-100432059-C Quinazolinone derivatives useful as anti-hyperalgesic agents NOVARTIS AG (CH) 2008-11-12 CN disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060154942-A1 Quinazolinone derivatives useful as anti-hyperalgesic agents CULSHAW ANDREW J 2006-07-13 US disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
CN-1711249-A Quinazolinone derivatives useful as anti-hyperalgesic agents NOVARTIS AG (CH) 2005-12-21 CN disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US disclosed
EP-1554257-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS Novartis AG (CH) 2005-07-20 EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
WO-2004033435-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS NOVARTIS AG (CH) 2004-04-22 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 (6 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-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS OPRK1, OPRL1, TRPV1 HPGD 531/4885CSNK2A1 413/4885KDM4E 3327/4885
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same PAK4, PAK5, PAK1 HPGD 2381/4885CSNK2A1 1379/4885KDM4E 611/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 HPGD 1705/4885CSNK2A1 1655/4885KDM4E 3949/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 HPGD 1705/4885CSNK2A1 1655/4885KDM4E 3949/4885
US-20060154942-A1 Quinazolinone derivatives useful as anti-hyperalgesic agents OPRK1, OPRL1, TRPV1 HPGD 531/4885CSNK2A1 413/4885KDM4E 3327/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 HPGD 1705/4885CSNK2A1 1655/4885KDM4E 3949/4885

“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.