SCHEMBL5549422

SCHEMBL5549422

CN1CCCC/C(C(=O)O)=C/c2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.38
PARP1 P09874 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
MYC P01106 1/20 0.37
NR4A1 P22736 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KCNQ2 O43526 1/20 0.33
GAA P10253 1/20 0.33
SRD5A1 P18405 1/20 0.33

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
SCHEMBL5549425 1.00 TNKS (0.38) TNKSPARP1TNKS2MYCNR4A1
SCHEMBL5549420 1.00 TNKS (0.38) TNKSPARP1TNKS2MYCNR4A1
SCHEMBL5549424 0.96 TNKS (0.41) TNKSPARP1TNKS2MYCNR4A1
SCHEMBL5549419 0.96 TNKS (0.41) TNKSPARP1TNKS2MYCNR4A1
SCHEMBL5240544 0.91 MYC (0.39) TNKSPARP1TNKS2MYCNR4A1
Hydrochloric Acid SCHEMBL5204621 0.89 MYC (0.38) TNKSPARP1TNKS2MYCNR4A1
SCHEMBL6516859 0.80 KMT2A (0.46) MYCNR4A1HDAC1HDAC6HDAC8
SCHEMBL6516854 0.80 KMT2A (0.46) MYCNR4A1HDAC1HDAC6HDAC8
SCHEMBL6520807 0.78 LMNA (0.41) MYCNR4A1HDAC1HDAC6HDAC8
SCHEMBL6525034 0.78 LMNA (0.41) MYCNR4A1HDAC1HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760054-A2 Process for producing cyclic compound Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-7038042-B2 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-02 US disclosed
US-20050096475-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
US-6864367-B2 Process for producing cyclic compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-08 US disclosed
US-20030040632-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-02-27 US disclosed
EP-1266881-A1 PROCESS FOR PRODUCING CYCLIC COMPOUND Takeda Chemical Industries, Ltd. (JP) 2002-12-18 EP 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 (2 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-20030040632-A1 Process for producing cyclic compound CTH, DOHH, SLC39A11 TNKS 4867/4885PARP1 3436/4885TNKS2 4714/4885
US-20050096475-A1 Process for producing cyclic compound SLC39A11, CYP4F11, WEE1 TNKS 4835/4885PARP1 2948/4885TNKS2 4744/4885

“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.