SCHEMBL2171273

SCHEMBL2171273

NC(=O)c1ccccc1[C]=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
METAP2 P50579 1/20 0.48
BCAT2 O15382 1/20 0.47
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.42
CTNNB1 P35222 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PARP1 P09874 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL11594420 1.00 NPC1 (0.60) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL262368 0.80 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL6808280 0.80 NPC1 (0.40) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL3468799 0.80 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL29629450 0.80 NPC1 (0.58) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL1157075 0.79 ALDH1A1 (0.40) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL8385 0.79 ALDH1A1 (0.59) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL28002036 0.78 NPC1 (0.56) NPC1RAB9AALDH1A1KDM4EHPGD
Bromide SCHEMBL28425575 0.78 NPC1 (0.56) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL104615 0.77 ALDH1A1 (0.39) NPC1RAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US claimed
CN-101268060-A Thiazolinone and oxazolinone compounds and application thereof as PTP1B inhibitor TORRENT PHARMACEUTICALS LTD (IN) 2008-09-17 CN claimed
WO-2007137190-A2 FUNCTIONALLY DIVERSE MACROMOLECULES AND THEIR SYNTHESIS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2007-11-29 WO claimed
US-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor GLAXO GROUP LIMITED (GB) 2007-09-27 US claimed
US-20070098676-A1 FUNCTIONALLY DIVERSE MACROMOLECULES AND THEIR SYNTHESIS THE TEXAS A&M UNIVERSITY SYSTEM 2007-05-03 US claimed
US-20070041933-A1 Functionally Diverse Macromolecules and Their Synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-22 US claimed
EP-1742916-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-01-17 EP claimed
WO-2005108369-A1 PHENYL COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONDITIONS MEDIATED BY THE ACTION OF PGE2 AT THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2005-11-17 WO claimed
EP-1119354-A4 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORP (US) 2003-02-12 EP claimed
JP-2002527392-A 2002-08-27 JP claimed
EP-1119354-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES Adolor Corporation (US) 2001-08-01 EP claimed
WO-2000021530-A1 PERIPHERALLY ACTING ANTI-PRURITIC OPIATES ADOLOR CORPORATION (US) 2000-04-20 WO claimed
US-8551956-B2 Compositions containing peptides with non-natural amino acids and methods of use AVON PRODUCTS, INC. (US) 2013-10-08 US disclosed
CN-101084196-B Process for producing N-halogenated organic compound ALBEMARLE CORP 2012-07-18 CN disclosed
US-20110319592-A1 Process for the Purification of Antibodies Using Affinity Resins Comprising Specific Ligands NOVO NORDISK A/S (DK) 2011-12-29 US disclosed
EP-2346892-A1 PROCESS FOR THE PURIFICATION OF ANTIBODIES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS Novo Nordisk A/S (DK) 2011-07-27 EP disclosed
EP-0718298-A1 Electron transporting tryptoanthrinime derivatives MITA INDUSTRIAL CO. LTD. (JP) 1996-06-26 EP disclosed
US-5521044-A SENSITIVITY, DURABILITY MITA INDUSTRIAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0552740-A1 Electrophotosensitive material MITA INDUSTRIAL CO. LTD. (JP) 1993-07-28 EP disclosed
EP-0329606-A2 Antibiotics from myxocuccos CIBA-GEIGY AG (CH) 1989-08-23 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 (4 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-20070225340-A1 Phenyl Compounds And Their Use In The Treatment Of Conditions Mediated By The Action Of Pge2 At The Ep1 Receptor PTGER1, PTGER2, PTGDR NPC1 810/4885RAB9A 1313/4885ALDH1A1 682/4885
US-20110319592-A1 Process for the Purification of Antibodies Using Affinity Resins Comprising Specific Ligands FCGR1A, FCGR2A, FCGR3B NPC1 4661/4885RAB9A 2548/4885ALDH1A1 3858/4885
US-20070041933-A1 Functionally Diverse Macromolecules and Their Synthesis ECPAS, PCNA, MRPS22 NPC1 4834/4885RAB9A 4652/4885ALDH1A1 2099/4885
US-20070098676-A1 FUNCTIONALLY DIVERSE MACROMOLECULES AND THEIR SYNTHESIS ECPAS, PCNA, MRPS22 NPC1 4834/4885RAB9A 4652/4885ALDH1A1 2099/4885

“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.