SCHEMBL1522494

SCHEMBL1522494

O=c1oc(=O)n(Cc2cncc(Br)c2)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.39
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKDC P78527 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GABRA5 P31644 2/20 0.36
THRB P10828 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK10 P53779 1/20 0.34
GABRA1 P14867 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL1522311 0.86 PTGDR2 (0.43) KDM4EALDH1A1PTGDR2MEN1KMT2A
SCHEMBL1522224 0.86 MAPT (0.46) KDM4EALDH1A1PTGDR2MEN1KMT2A
SCHEMBL1522441 0.84 TP53 (0.45) KDM4EALDH1A1PTGDR2CYP1A2CYP2D6
SCHEMBL1523150 0.84 PTGDR2 (0.53) KDM4EALDH1A1PTGDR2PKMMEN1
SCHEMBL1523366 0.81 PTGDR2 (0.51) KDM4EALDH1A1PTGDR2MEN1KMT2A
SCHEMBL1522698 0.80 PTGDR2 (0.51) KDM4EALDH1A1PTGDR2MEN1KMT2A
SCHEMBL1522225 0.77 PTGDR2 (0.55) KDM4EALDH1A1PTGDR2MAPTTP53
SCHEMBL1522600 0.76 MAPT (0.43) KDM4EALDH1A1PTGDR2MAPTTP53
SCHEMBL1522234 0.76 MCL1 (0.44) KDM4EALDH1A1MAPTTP53THRB
SCHEMBL1523043 0.76 MAPT (0.46) KDM4EALDH1A1PTGDR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
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-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 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 (5 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885ALDH1A1 1434/4885PTGDR2 4141/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885ALDH1A1 1434/4885PTGDR2 4141/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 KDM4E 4075/4885ALDH1A1 891/4885PTGDR2 4076/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT KDM4E 3897/4885ALDH1A1 1592/4885PTGDR2 4088/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885ALDH1A1 1434/4885PTGDR2 4141/4885

“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.