SCHEMBL6316510

SCHEMBL6316510

[CH2]N(C)CC(O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
ALDH1A1 P00352 4/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 5/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MEN1 O00255 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL6316512 0.87 DHODH (0.51) DHODHALDH1A1AKR1C3AKR1C1POLB
SCHEMBL6318818 0.82 POLB (0.47) ALDH1A1POLBSMN1; SMN2L3MBTL1NAPRT
SCHEMBL7153255 0.77 DHODH (0.54) DHODHALDH1A1AKR1C3AKR1C1POLB
SCHEMBL6535359 0.77 DHODH (0.54) DHODHALDH1A1AKR1C3AKR1C1POLB
SCHEMBL6324850 0.77 DHODH (0.54) DHODHALDH1A1AKR1C3AKR1C1POLB
SCHEMBL9193955 0.76 DHODH (0.53) DHODHALDH1A1AKR1C3AKR1C1POLB
SCHEMBL6318456 0.76 TDP1 (0.58) DHODHALDH1A1AKR1C3AKR1C1POLB
SCHEMBL6320570 0.74 TAAR1 (0.50) ALDH1A1SMN1; SMN2MAPTTAAR1TDP1
SCHEMBL6284970 0.74 AOC3 (0.68) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATAAR1
SCHEMBL11112670 0.74 SMN1; SMN2 (0.61) DHODHALDH1A1AKR1C3AKR1C1POLB

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 claimed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US claimed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP claimed
EP-1467999-A1 OXOTHIENO[3,2-B]PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP claimed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US claimed
WO-2003059912-A1 OXOTHIENO (3, 2-B) PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO claimed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO claimed

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 970/4885ALDH1A1 1593/4885AKR1C3 1394/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 DHODH 922/4885ALDH1A1 1981/4885AKR1C3 1510/4885

“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.