SCHEMBL647938

SCHEMBL647938

c1ccc(CNCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
HPGD P15428 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.67
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
DPP7 Q9UHL4 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
KDM1A O60341 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL109279 0.91 ALDH1A1 (0.67) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL9735961 0.87 POLB (0.71) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL19392289 0.85 ALDH1A1 (0.68) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL1042604 0.85 KMT2A (0.60) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL6832159 0.85 HSP90AA1 (0.63) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL1041595 0.83 ALDH1A1 (0.66) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL9672474 0.81 MAPT (0.63) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL1041553 0.81 ALDH1A1 (0.53) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL1042326 0.81 KMT2A (0.66) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL12509821 0.81 ALDH1A1 (0.63) ALDH1A1HPGDL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US claimed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP claimed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 WO claimed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1480941-B1 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC (CA) 2011-01-26 EP disclosed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US disclosed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed
WO-2003074467-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2003-09-12 WO disclosed
EP-1322309-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2003-07-02 EP disclosed
US-6528532-B1 Benzenesulfonamide group PHARMACOR INC. (CA) 2003-03-04 US disclosed
WO-2002049993-A2 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-06-27 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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 ALDH1A1 1494/4885HPGD 2688/4885L3MBTL1 1782/4885
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 ALDH1A1 2549/4885HPGD 4099/4885L3MBTL1 1222/4885

“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.