SCHEMBL1247002

SCHEMBL1247002

COc1ccc(CNC(=O)c2ccc(-c3ccccc3)nc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.73
HPGDS O60760 2/20 0.68
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
NR1H4 Q96RI1 1/20 0.57
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
PPARG P37231 1/20 0.54
RAB9A P51151 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL16495897 0.89 SMN1; SMN2 (0.61) SMN1; SMN2HPGDSBCHEACHEMAPT
SCHEMBL16496315 0.89 SMN1; SMN2 (0.60) SMN1; SMN2HPGDSBCHEACHENR1H4
SCHEMBL4727807 0.87 SMN1; SMN2 (0.74) SMN1; SMN2HPGDSBCHEACHENR1H4
SCHEMBL1542939 0.87 HCRTR1 (0.58) SMN1; SMN2BCHEACHENR1H4RECQL
SCHEMBL16496009 0.85 HPGDS (0.77) SMN1; SMN2HPGDSNR1H4ALDH1A1L3MBTL1
SCHEMBL17194791 0.85 SMN1; SMN2 (1.00) SMN1; SMN2NR1H4RECQLHSD17B10PPARG
SCHEMBL14082239 0.84 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EMAPTPPARGRAB9A
SCHEMBL16495963 0.84 HPGDS (0.79) SMN1; SMN2HPGDSNR1H4L3MBTL1MAPT
SCHEMBL16496446 0.83 BCHE (0.58) SMN1; SMN2BCHEACHERECQLHSD17B10
SCHEMBL582322 0.82 SMN1; SMN2 (0.85) SMN1; SMN2NR1H4ALDH1A1L3MBTL1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2286221-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Cayman Chemical Company (US) 2011-02-23 EP disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
WO-2009140364-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 WO disclosed
WO-2009140364-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 SMN1; SMN2 1659/4885HPGDS 1073/4885BCHE 2882/4885
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, HPGD, GMDS SMN1; SMN2 3401/4885HPGDS 1/4885BCHE 820/4885

“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.