SCHEMBL6421024

SCHEMBL6421024

CC(=CO)Cc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
GPR35 Q9HC97 2/20 0.40
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP2D6 P10635 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL6421020 1.00 TDP1 (0.40) TDP1GPR35ERN1ALDH1A1CYP2D6
SCHEMBL6936036 0.80 GPR35 (0.46) TDP1GPR35ALDH1A1CYP2D6MAPT
SCHEMBL16397785 0.80 GPR35 (0.46) TDP1GPR35ALDH1A1CYP2D6MAPT
SCHEMBL31442676 0.77 GPR35 (0.43) TDP1GPR35ALDH1A1CYP2D6MAPT
SCHEMBL9450226 0.77 GPR35 (0.43) TDP1GPR35ALDH1A1CYP2D6MAPT
SCHEMBL1373558 0.77 ALDH1A1 (0.44) TDP1GPR35ALDH1A1MAPTLMNA
SCHEMBL16410266 0.76 ALDH1A1 (0.41) TDP1GPR35ALDH1A1CYP2D6MAPT
SCHEMBL1372574 0.76 GPR35 (0.48) TDP1GPR35ERN1ALDH1A1CYP2D6
SCHEMBL14253669 0.76 TDP1 (0.48) TDP1GPR35ALDH1A1CYP2D6MAPT
Acetic Acid SCHEMBL28222560 0.76 TDP1 (0.44) TDP1GPR35ERN1ALDH1A1CYP2D6

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-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 (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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 TDP1 4839/4885GPR35 974/4885ERN1 1842/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 TDP1 4214/4885GPR35 835/4885ERN1 1827/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 TDP1 4231/4885GPR35 878/4885ERN1 1743/4885

“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.