SCHEMBL4134536

SCHEMBL4134536

COc1nn(-c2ccc(Br)cc2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
ATM Q13315 1/20 0.48
AURKA O14965 3/20 0.46
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL4302539 0.86 L3MBTL1 (0.62) MEN1KMT2AL3MBTL1ATMAURKA
SCHEMBL19120306 0.85 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1ATMCA12
SCHEMBL21723820 0.81 POLB (0.40) MEN1KMT2AL3MBTL1ATMAURKA
SCHEMBL11006297 0.81 CA12 (0.51) MEN1KMT2AHTTL3MBTL1ATM
SCHEMBL6052147 0.80 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1AURKA
SCHEMBL977618 0.79 L3MBTL1 (0.79) MEN1KMT2AL3MBTL1ATMAURKA
SCHEMBL21724059 0.77 ALDH1A1 (0.41) L3MBTL1ATMALDH1A1LMNAHPGD
SCHEMBL20864076 0.77 L3MBTL1 (0.61) MEN1KMT2AL3MBTL1ATMAURKA
SCHEMBL13802336 0.76 NPSR1 (0.40) MEN1KMT2AHTTAURKACA12
SCHEMBL21724292 0.76 MAPK1 (0.53) HTTL3MBTL1ATMALDH1A1LMNA

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
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 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 (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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT MEN1 206/4885KMT2A 977/4885HTT 462/4885

“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.