SCHEMBL22445346

SCHEMBL22445346

Cc1c([N+](=O)[O-])cccc1S(=O)(=O)O[C@@H]1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ATM Q13315 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PKM P14618 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL23575094 1.00 TDP1 (0.47) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL22288597 1.00 TDP1 (0.47) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL27568731 0.82 PRMT5 (0.58) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL27548998 0.82 PRMT5 (0.58) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10482176 0.78 TDP1 (0.58) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL27609739 0.77 TDP1 (0.56) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6255181 0.75 TDP1 (0.46) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL9356245 0.73 TDP1 (0.64) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10700952 0.73 TDP1 (0.64) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10742167 0.71 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-11590111-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators Fulcrum Therapeutics, Inc. (US) 2023-02-28 US disclosed
US-20220160686-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS Fulcrum Therapeutics, Inc. 2022-05-26 US disclosed
EP-3938050-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS Fulcrum Therapeutics, Inc. (US) 2022-01-19 EP disclosed
WO-2020190754-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS Fulcrum Therapeutics, Inc. (US) 2020-09-24 WO 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 (3 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-20220160686-A1 MACROCYCLIC AZOLOPYRIDINE DERIVATIVES AS EED AND PRC2 MODULATORS EED, EZH2, BMI1 TDP1 2597/4885TSHR 2892/4885SMN1; SMN2 676/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC TDP1 1709/4885TSHR 4174/4885SMN1; SMN2 1689/4885
US-11590111-B2 Macrocyclic azolopyridine derivatives as EED and PRC2 modulators EED, EZH2, BMI1 TDP1 2597/4885TSHR 2892/4885SMN1; SMN2 676/4885

“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.