SCHEMBL716443

SCHEMBL716443

Cc1nn(-c2cc(F)cc(F)c2)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
PTGS2 P35354 3/20 0.37
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.35
NLRP3 Q96P20 1/20 0.34
ERN1 O75460 1/20 0.33
LMNA P02545 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL124501 0.84 POLB (0.48) POLBPTGS2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14905703 0.80 POLB (0.40) POLBPTGS2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL717781 0.78 MEN1 (0.50) POLBPTGS2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL719535 0.76 PTGS2 (0.63) POLBPTGS2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL717229 0.75 ALDH1A1 (0.40) POLBALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL5021121 0.74 MEN1 (0.36) POLBKMT2ASMN1; SMN2MEN1RAB9A
SCHEMBL718292 0.73 PTGS2 (0.45) POLBPTGS2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21271864 0.73 PTGS2 (0.45) POLBPTGS2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28716311 0.73 PTGS2 (0.65) POLBPTGS2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL718415 0.73 PTGS2 (0.42) POLBPTGS2ALDH1A1KMT2ASMN1; SMN2

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-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP POLB 4719/4885PTGS2 798/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP POLB 4719/4885PTGS2 798/4885ALDH1A1 504/4885

“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.