SCHEMBL27016948

SCHEMBL27016948

Cc1cc(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2c1/N=N/c1ccc2ccccc2c1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.82
▸ CYP2C9 P11712 2/20 0.82
▸ TSHR P16473 2/20 0.82
▸ CYP2C19 P33261 2/20 0.82
▸ HSD17B10 Q99714 2/20 0.82
▸ CYP3A4 P08684 1/20 0.82
▸ CYP2D6 P10635 1/20 0.82
▸ HPGD P15428 1/20 0.82
▸ ALOX15 P16050 1/20 0.82
▸ ALOX12 P18054 1/20 0.82
▸ CSNK2A1 P68400 1/20 0.82
▸ PRMT1 Q99873 1/20 0.67
▸ MPL P40238 6/20 0.60
▸ CTRC Q99895 2/20 0.60
▸ CTRB1 P17538 1/20 0.51
▸ NT5E P21589 1/20 0.45
▸ HIF1A Q16665 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ PTPRA P18433 1/20 0.43
▸ PTPRB P23467 1/20 0.43

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
SCHEMBL29416328 0.90 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29366217 0.90 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29416331 0.90 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL18338970 0.90 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL1470827 0.90 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3424518 0.90 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL2220297 0.89 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3756189 0.89 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3756185 0.89 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30155023 0.89 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10

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-20240019450-A1 FLUORESCENT SENSORS THE UNIVERSITY OF SYDNEY (AU) 2024-01-18 — — 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-20240019450-A1 FLUORESCENT SENSORS NCS1, TRPA1, AQP1 CYP1A2 4436/4885CYP2C9 4143/4885TSHR 4400/4885

“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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