SCHEMBL13829366

SCHEMBL13829366

CCCCSc1ccc2c3c(cccc13)C(=O)N(O)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 4/20 0.50
▸ POLB P06746 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ XBP1 P17861 2/20 0.50
▸ ERCC1 P07992 2/20 0.50
▸ FEN1 P39748 2/20 0.50
▸ ERCC4 Q92889 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ PABPC1 P11940 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ SMARCA2 P51531 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALOX12 P18054 1/20 0.50

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
SCHEMBL13829120 0.95 POLB (0.48) KMT2AMAPTLMNAPOLBHTT
SCHEMBL17617820 0.92 POLB (0.52) KMT2AMAPTLMNAPOLBHTT
SCHEMBL1354118 0.82 TYMS (0.60) KMT2AMAPTPOLBHTTTDP1
SCHEMBL13829367 0.82 KMT2A (0.48) KMT2AMAPTLMNAPOLBHTT
SCHEMBL13829104 0.81 KMT2A (0.47) KMT2AMAPTLMNAPOLBHTT
SCHEMBL12133954 0.81 POLB (0.55) KMT2AMAPTLMNAPOLBHTT
SCHEMBL11343907 0.80 MEN1 (0.49) KMT2AMAPTLMNAPOLBHTT
SCHEMBL17617822 0.80 MEN1 (0.54) KMT2AMAPTLMNAPOLBHTT
SCHEMBL7712260 0.79 POLB (0.59) KMT2AMAPTLMNAPOLBHTT
SCHEMBL28663739 0.78 POLB (0.56) KMT2AMAPTLMNAPOLBHTT

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-8680268-B2 Sulfonic acid derivative compound and novel naphthalic acid derivative compound ADEKA CORPORATION (JP) 2014-03-25 — — US disclosed
US-8680268-B2 Sulfonic acid derivative compound and novel naphthalic acid derivative compound ADEKA CORPORATION (JP) 2014-03-25 — — US disclosed
US-20120289697-A1 NOVEL SULFONIC ACID DERIVATIVE COMPOUND AND NOVEL NAPHTHALIC ACID DERIVATIVE COMPOUND ADEKA CORPORATION (JP) 2012-11-15 — — US disclosed
US-20120289697-A1 NOVEL SULFONIC ACID DERIVATIVE COMPOUND AND NOVEL NAPHTHALIC ACID DERIVATIVE COMPOUND ADEKA CORPORATION (JP) 2012-11-15 — — 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 (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-20120289697-A1 NOVEL SULFONIC ACID DERIVATIVE COMPOUND AND NOVEL NAPHTHALIC ACID DERIVATIVE COMPOUND TPD52L2, TST, SULT1A1 KMT2A 1604/4885MAPT 4702/4885LMNA 4111/4885

“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.

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