SCHEMBL2398871

SCHEMBL2398871

C=CCC[CH]c1cccc(Br)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
PARP1 P09874 1/20 0.31
BCHE P06276 1/20 0.31
OGG1 O15527 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL13358870 0.88 HSD11B1 (0.35) KDM4EHSD11B1MEN1KMT2AHTT
SCHEMBL13358901 0.84 HSD11B1 (0.35) HSD11B1MEN1KMT2APARP1BCHE
SCHEMBL4702284 0.81 HSD11B1 (0.37) HSD11B1MEN1KMT2APARP1BCHE
SCHEMBL12480051 0.80 HSD11B1 (0.36) HSD11B1MEN1KMT2APARP1BCHE
SCHEMBL13358906 0.78 HSD11B1 (0.37) KDM4EHSD11B1MEN1KMT2AHTT
SCHEMBL9003830 0.72 PARP1 (0.46) KDM4ETDP1HSD11B1MAPTPOLB
SCHEMBL13358882 0.71 NFKB1 (0.39) KDM4EMEN1KMT2AMAPT
SCHEMBL5742413 0.70 HSD11B1 (0.36) HSD11B1POLBPARP1BCHE
SCHEMBL31384796 0.68 CES2 (0.52) TDP1MEN1KMT2AHTTPARP1
SCHEMBL9003690 0.68 CES2 (0.52) TDP1MEN1KMT2AHTTPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 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 (1 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-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists CCR1, CCR3, CCR4 KDM4E 4403/4885TDP1 1996/4885HSD11B1 1306/4885

“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.