SCHEMBL4922982

SCHEMBL4922982

CCc1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
VCAM1 P19320 12/20 0.43
ALDH1A1 P00352 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL273093 0.85 TDP1 (0.60) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL6640405 0.83 TDP1 (0.62) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL28187039 0.82 TDP1 (0.47) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL6646572 0.81 TDP1 (0.60) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL6576203 0.81 TDP1 (0.60) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL9512370 0.80 TDP1 (0.48) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL5042301 0.79 TDP1 (0.56) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL31514206 0.79 TDP1 (0.56) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL1626726 0.78 ALDH1A1 (0.44) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL8411786 0.78 GPR35 (0.47) TDP1TSHRMAPK1VCAM1ALDH1A1

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
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-7279484-B2 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease AJINOMOTO CO., INC. (JP) 2007-10-09 US disclosed
US-7279484-B2 Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease AJINOMOTO CO., INC. (JP) 2007-10-09 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 TDP1 4558/4885TSHR 240/4885MAPK1 884/4885

“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.