SCHEMBL647939

SCHEMBL647939

O=C(NCc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.84
HPGD P15428 2/20 0.84
HSD17B10 Q99714 1/20 0.84
ALDH1A1 P00352 4/20 0.77
MAPT P10636 2/20 0.77
ALOX12 P18054 1/20 0.77
NPC1 O15118 3/20 0.76
LMNA P02545 2/20 0.71
MEN1 O00255 1/20 0.71
MAPK1 P28482 1/20 0.71
MMP13 P45452 1/20 0.71
KMT2A Q03164 1/20 0.71
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TSHR P16473 1/20 0.65
GSK3B P49841 1/20 0.64
HSP90AA1 P07900 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
KLF5 Q13887 1/20 0.64

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
SCHEMBL22145584 0.91 RAB9A (1.00) RAB9AHPGDHSD17B10ALDH1A1MAPT
SCHEMBL5334358 0.89 MEN1 (0.90) RAB9AHPGDHSD17B10ALDH1A1MAPT
SCHEMBL108263 0.88 ALDH1A1 (0.92) HPGDHSD17B10ALDH1A1NPC1LMNA
SCHEMBL1042605 0.86 ALDH1A1 (0.74) RAB9AHPGDHSD17B10ALDH1A1NPC1
SCHEMBL17822164 0.86 NPC1 (1.00) RAB9AHPGDHSD17B10ALDH1A1MAPT
SCHEMBL30666147 0.86 NPC1 (1.00) RAB9AHPGDHSD17B10ALDH1A1MAPT
SCHEMBL4925396 0.86 MEN1 (0.84) RAB9AHPGDHSD17B10ALDH1A1MAPT
SCHEMBL4111423 0.85 HSP90AA1 (0.71) RAB9AHPGDHSD17B10ALDH1A1NPC1
SCHEMBL4050432 0.84 CHRM3 (0.70) RAB9AHPGDHSD17B10ALDH1A1LMNA
SCHEMBL5335238 0.83 MEN1 (1.00) HPGDHSD17B10ALDH1A1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109714-A1 NEURODEGENERATIVE DISEASE THERAPEUTIC AGENT NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-05-02 US disclosed
US-20130109714-A1 NEURODEGENERATIVE DISEASE THERAPEUTIC AGENT NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-05-02 US disclosed
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
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
EP-1480941-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2004-12-01 EP disclosed
EP-1322309-A4 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2004-10-13 EP 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
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS 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 (3 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 RAB9A 3369/4885HPGD 2949/4885HSD17B10 4399/4885
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 RAB9A 2601/4885HPGD 1577/4885HSD17B10 4680/4885
US-20130109714-A1 NEURODEGENERATIVE DISEASE THERAPEUTIC AGENT SNCA, NLN, GAP43 RAB9A 924/4885HPGD 1093/4885HSD17B10 2829/4885

“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.