SCHEMBL6512291

SCHEMBL6512291

O=C(O)N(Cc1cncc(Br)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KDM4E B2RXH2 1/20 0.42
HTT P42858 4/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
CASP3 P42574 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL16619456 0.83 POLB (0.44) POLBHCAR2KDM4EHTTALOX15
SCHEMBL6505188 0.79 POLB (0.41) POLBHCAR2KDM4EHTTALOX15
SCHEMBL1522910 0.77 CYP1A2 (0.39) POLBHCAR2KDM4EHTTSMN1; SMN2
SCHEMBL334406 0.76 POLB (0.52) POLBHCAR2KDM4EHTTALOX15
SCHEMBL29598214 0.76 POLB (0.52) POLBHCAR2KDM4EHTTALOX15
SCHEMBL15301359 0.74 PKM (0.47) POLBHCAR2SMN1; SMN2PKM
SCHEMBL3723569 0.73 CHRNB2 (0.47) POLBHCAR2KDM4EHTTSMN1; SMN2
Acetic Acid SCHEMBL28229691 0.73 POLB (0.48) POLBHCAR2KDM4EHTTALOX15
SCHEMBL1475664 0.73 POLB (0.48) POLBHCAR2KDM4EHTTALOX15
SCHEMBL1749636 0.72 KMT2A (0.56) POLBHTTALOX15SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US 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 (4 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB POLB 3/4885HCAR2 4661/4885KDM4E 4352/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 POLB 35/4885HCAR2 4586/4885KDM4E 4075/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT POLB 19/4885HCAR2 4497/4885KDM4E 3897/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB POLB 3/4885HCAR2 4661/4885KDM4E 4352/4885

“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.