SCHEMBL6724236

SCHEMBL6724236

CCOC(=O)c1cnc2c([N+](=O)[O-])cc(CN3CCOCC3)cc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.45
UHRF1 Q96T88 1/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PKM P14618 1/20 0.43
CTSB P07858 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6727072 0.86 RAD52 (0.49) RAD52UHRF1POLBSMN1; SMN2L3MBTL1
SCHEMBL6770775 0.86 RAD52 (0.49) RAD52UHRF1POLBSMN1; SMN2KMT2A
SCHEMBL6732194 0.84 RXFP1 (0.46) RAD52UHRF1POLBSMN1; SMN2KMT2A
SCHEMBL6610256 0.84 RAD52 (0.48) RAD52UHRF1POLBSMN1; SMN2KMT2A
SCHEMBL6735256 0.81 ALDH1A1 (0.47) POLBSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6732648 0.79 ALDH1A1 (0.50) POLBSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6724134 0.78 ALDH1A1 (0.46) RAD52UHRF1POLBSMN1; SMN2L3MBTL1
SCHEMBL6605450 0.78 KMT2A (0.46) RAD52UHRF1POLBSMN1; SMN2L3MBTL1
SCHEMBL147701 0.77 MAPT (0.53) SMN1; SMN2KMT2AALDH1A1MEN1RXFP1
SCHEMBL6736403 0.77 ALDH1A1 (0.48) POLBSMN1; SMN2KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RAD52 2381/4885UHRF1 1000/4885POLB 1649/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RAD52 2381/4885UHRF1 1000/4885POLB 1649/4885

“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.