SCHEMBL1522441

SCHEMBL1522441

O=c1oc(=O)n(Cc2ccc(Br)cc2)c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE4A P27815 1/20 0.39

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
SCHEMBL1522698 0.88 PTGDR2 (0.51) TP53CNR1CNR2ALDH1A1KDM4E
SCHEMBL1522225 0.87 PTGDR2 (0.55) TP53ALDH1A1KDM4EMAPTTHRB
SCHEMBL1523366 0.86 PTGDR2 (0.51) TP53ALDH1A1KDM4EMAPTTHRB
SCHEMBL1522224 0.86 MAPT (0.46) ALDH1A1KDM4EMAPTTHRBRXFP1
SCHEMBL1522645 0.86 PTGDR2 (0.44) TP53ALDH1A1KDM4EMAPTTHRB
SCHEMBL1522494 0.84 KDM4E (0.41) TP53ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL1522968 0.84 PTGDR2 (0.45) TP53CNR2ALDH1A1KDM4EMAPT
SCHEMBL1523317 0.84 MAPT (0.59) TP53ALDH1A1KDM4EMAPTTHRB
SCHEMBL3513813 0.84 PTGDR2 (0.55) TP53CNR2ALDH1A1KDM4EMAPT
SCHEMBL1522499 0.84 PTGDR2 (0.55) TP53ALDH1A1KDM4EMAPTTHRB

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
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
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 TP53 3666/4885CNR1 3398/4885CNR2 4494/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB TP53 3666/4885CNR1 3398/4885CNR2 4494/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 TP53 3890/4885CNR1 2252/4885CNR2 4140/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT TP53 3573/4885CNR1 3251/4885CNR2 4150/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB TP53 3666/4885CNR1 3398/4885CNR2 4494/4885

“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.