SCHEMBL6284512

SCHEMBL6284512

O=C(O)/C=C/c1c(F)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.44
NFKB1 P19838 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAOB P27338 4/20 0.41
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6284514 1.00 ABCG2 (0.44) ABCG2NFKB1ALDH1A1MAOBHDAC3
SCHEMBL1226435 0.84 ABCG2 (0.58) ABCG2NFKB1ALDH1A1MAOBHDAC3
SCHEMBL1226433 0.84 ABCG2 (0.58) ABCG2NFKB1ALDH1A1MAOBHDAC3
SCHEMBL3712676 0.82 NFKB1 (0.42) ABCG2NFKB1ALDH1A1MAOBHDAC3
SCHEMBL8060466 0.82 NFKB1 (0.42) ABCG2NFKB1ALDH1A1MAOBHDAC3
SCHEMBL3712675 0.82 NFKB1 (0.42) ABCG2NFKB1ALDH1A1MAOBHDAC3
SCHEMBL3733685 0.81 ABCG2 (0.40) ABCG2NFKB1MAOBLMNAHPGD
SCHEMBL12641748 0.81 MAOB (0.46) ABCG2NFKB1ALDH1A1MAOBLMNA
SCHEMBL1167413 0.77 NFKB1 (0.56) ABCG2NFKB1MAOBLMNAMAPT
SCHEMBL700920 0.77 NFKB1 (0.56) ABCG2NFKB1MAOBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012175514-A1 PYRIDINONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-27 WO disclosed
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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 (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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM ABCG2 4485/4885NFKB1 2188/4885ALDH1A1 2470/4885

“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.