SCHEMBL4702284

SCHEMBL4702284

NC[CH]c1cccc(Br)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
PARP1 P09874 1/20 0.34
BCHE P06276 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31
ERN1 O75460 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
GAA P10253 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
SCHEMBL12480051 0.85 HSD11B1 (0.36) HSD11B1PARP1BCHEPARP10CXCR1
SCHEMBL13358901 0.83 HSD11B1 (0.35) HSD11B1PARP1BCHEPARP10CXCR1
SCHEMBL13358870 0.83 HSD11B1 (0.35) HSD11B1PARP1BCHEPARP10CXCR1
SCHEMBL2398871 0.81 KDM4E (0.36) HSD11B1PARP1BCHEPARP10KMT2A
SCHEMBL5243986 0.81 MMP2 (0.32)
SCHEMBL9903830 0.79 ALDH1A1 (0.42) PARP1KMT2AMEN1NPC1
SCHEMBL9902783 0.79 CES2 (0.44) PARP1KMT2AMEN1NPC1RAB9A
SCHEMBL9003830 0.77 PARP1 (0.46) HSD11B1PARP1PARP10CXCR1CXCR2
SCHEMBL13358906 0.76 HSD11B1 (0.37) HSD11B1PARP1BCHECXCR1CXCR2
SCHEMBL5742413 0.75 HSD11B1 (0.36) HSD11B1PARP1BCHECXCR1CXCR2

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-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C HSD11B1 1768/4885PARP1 891/4885BCHE 4581/4885

“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.