SCHEMBL2720779

SCHEMBL2720779

C=CCn1nccc1C=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.31
CASP3 P42574 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL858918 0.76
SCHEMBL28896558 0.73
SCHEMBL1367696 0.72
SCHEMBL6158697 0.72
SCHEMBL1414572 0.72
SCHEMBL21570255 0.72 ADRA1A (0.33)
SCHEMBL629078 0.72 CYP3A4 (0.41) RAB9ASMN1; SMN2CYP3A4CASP3ALDH1A1
SCHEMBL7376931 0.69 CASP3 (0.38) RAB9ACYP3A4CASP3ALDH1A1GAA
SCHEMBL18458165 0.69 MAPK1 (0.33)
SCHEMBL8758934 0.68 ESR1 (0.33) CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 EP disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 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 (5 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 RAB9A 2398/4885SMN1; SMN2 3102/4885CYP3A4 2284/4885
US-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 RAB9A 2269/4885SMN1; SMN2 4212/4885CYP3A4 21/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 RAB9A 2269/4885SMN1; SMN2 4212/4885CYP3A4 21/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 RAB9A 2993/4885SMN1; SMN2 2613/4885CYP3A4 923/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 RAB9A 2817/4885SMN1; SMN2 2854/4885CYP3A4 811/4885

“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.