SCHEMBL4298914

SCHEMBL4298914

COc1ccc(CNC(=O)c2ccc(Br)nc2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.63
ACHE P22303 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.61
RECQL P46063 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NR1H4 Q96RI1 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 2/20 0.57
USP2 O75604 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL13622870 0.88 BCHE (0.63) BCHEACHESMN1; SMN2RECQLHSD17B10
SCHEMBL1247002 0.81 SMN1; SMN2 (0.73) BCHEACHESMN1; SMN2RECQLHSD17B10
SCHEMBL1542939 0.80 HCRTR1 (0.58) BCHEACHESMN1; SMN2RECQLHSD17B10
SCHEMBL16496315 0.80 SMN1; SMN2 (0.60) BCHEACHESMN1; SMN2RECQLHSD17B10
SCHEMBL4727807 0.80 SMN1; SMN2 (0.74) BCHEACHESMN1; SMN2RECQLHSD17B10
SCHEMBL1246983 0.79 MAPK1 (0.78) SMN1; SMN2RECQLLMNAALDH1A1USP2
SCHEMBL16495897 0.78 SMN1; SMN2 (0.61) BCHEACHESMN1; SMN2
SCHEMBL582322 0.78 SMN1; SMN2 (0.85) SMN1; SMN2RECQLHSD17B10NR1H4LMNA
Hydrochloric Acid SCHEMBL4012950 0.77 SMN1; SMN2 (0.70) SMN1; SMN2RECQLHSD17B10NR1H4LMNA
SCHEMBL5213956 0.77 HDAC1 (0.60) SMN1; SMN2RECQLHSD17B10NR1H4LMNA

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, HPGD, GMDS BCHE 820/4885ACHE 1181/4885SMN1; SMN2 3401/4885

“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.