SCHEMBL18242598

SCHEMBL18242598

[O]c1cccc2c(I)cccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.36
NOS1 P29475 1/20 0.35
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
ROCK1 Q13464 1/20 0.33
MYLK Q15746 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DYRK1A Q13627 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
SCHEMBL18242503 0.84 GRIN2D (0.33)
SCHEMBL30608894 0.83 NOS1 (0.44) TYMSNOS1TP53CYP1A2CYP3A4
SCHEMBL1269977 0.83 NOS1 (0.44) TYMSNOS1TP53CYP1A2CYP3A4
SCHEMBL5953714 0.72
SCHEMBL9467929 0.72 APOBEC3G (0.34) TYMSNOS1NPSR1DYRK1A
SCHEMBL330325 0.71
SCHEMBL22077551 0.70 NOS1 (0.37) TYMSNOS1TP53CYP1A2CYP3A4
SCHEMBL14353675 0.70 ALDH1A1 (0.48) TYMSCYP1A2TSHRCYP2C19LMNA
SCHEMBL29926858 0.70 ALDH1A1 (0.39) NOS1CYP1A2TSHR
SCHEMBL3193406 0.70 ALDH1A1 (0.39) NOS1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TYMS 4848/4885NOS1 261/4885TP53 4315/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TYMS 4848/4885NOS1 261/4885TP53 4315/4885

“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.