SCHEMBL26054329

SCHEMBL26054329

CC(C)(C)C(=O)c1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ NCEH1 Q6PIU2 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ LMNA P02545 3/20 0.42
▸ TNF P01375 2/20 0.42
▸ NOD1 Q9Y239 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ WDR5 P61964 1/20 0.40
▸ S100A4 P26447 1/20 0.40
▸ HPRT1 P00492 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
SCHEMBL28804512 0.82 TSHR (0.59) TSHRNCEH1CYP3A4LMNATNF
SCHEMBL1287816 0.82 WDR5 (0.59) TSHRNCEH1CYP3A4LMNATNF
SCHEMBL1287810 0.79 NCEH1 (0.57) TSHRNCEH1CYP3A4LMNATNF
SCHEMBL17060428 0.76 TSHR (0.55) TSHRNCEH1CYP3A4LMNATNF
SCHEMBL17060426 0.76 TSHR (0.55) TSHRNCEH1CYP3A4LMNATNF
SCHEMBL3169728 0.76 TSHR (0.47) TSHRNCEH1CYP3A4LMNAMEN1
SCHEMBL1595061 0.75 NCEH1 (0.56) TSHRNCEH1CYP3A4LMNATNF
SCHEMBL12355066 0.74 TSHR (0.62) TSHRNCEH1CYP3A4LMNAMEN1
SCHEMBL2681965 0.73 NCEH1 (0.51) TSHRNCEH1CYP3A4LMNAMEN1
SCHEMBL8237885 0.73 NR4A1 (0.59) TSHRCYP3A4LMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 — — 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 TSHR 4671/4885NCEH1 2794/4885CYP3A4 3554/4885

“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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