SCHEMBL6324850

SCHEMBL6324850

CC(=O)Nc1ccc(C(O)CBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 5/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C1 Q04828 1/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MB P02144 1/20 0.50
CYP1A1 P04798 1/20 0.50
CA3 P07451 1/20 0.50

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
SCHEMBL7153255 0.82 DHODH (0.54) DHODHSMN1; SMN2HTTL3MBTL1POLB
SCHEMBL6535359 0.82 DHODH (0.54) DHODHSMN1; SMN2HTTL3MBTL1POLB
SCHEMBL9193955 0.81 DHODH (0.53) DHODHSMN1; SMN2HTTL3MBTL1POLB
SCHEMBL6318456 0.81 TDP1 (0.58) DHODHSMN1; SMN2HTTL3MBTL1POLB
SCHEMBL6316512 0.79 DHODH (0.51) DHODHSMN1; SMN2HTTL3MBTL1POLB
SCHEMBL11112670 0.79 SMN1; SMN2 (0.61) DHODHSMN1; SMN2HTTL3MBTL1POLB
SCHEMBL3137531 0.78 KDM4E (0.53) DHODHSMN1; SMN2HTTL3MBTL1POLB
SCHEMBL14463078 0.77 SMN1; SMN2 (0.59) DHODHSMN1; SMN2HTTL3MBTL1POLB
SCHEMBL6316510 0.77 DHODH (0.49) DHODHSMN1; SMN2HTTL3MBTL1POLB
SCHEMBL27254651 0.77 SMN1; SMN2 (0.64) DHODHSMN1; SMN2HTTL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
EP-1467999-A1 OXOTHIENO[3,2-B]PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP disclosed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US disclosed
WO-2003059912-A1 OXOTHIENO (3, 2-B) PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 DHODH 970/4885SMN1; SMN2 947/4885HTT 2560/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 DHODH 922/4885SMN1; SMN2 1122/4885HTT 2470/4885

“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.