SCHEMBL3205770

SCHEMBL3205770

NC(=O)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.79
LMNA P02545 2/20 0.71
GAA P10253 1/20 0.71
POLB P06746 1/20 0.64
CA2 P00918 6/20 0.55
CA1 P00915 5/20 0.55
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
KMT2A Q03164 2/20 0.55
CES1 P23141 1/20 0.55
CA7 P43166 2/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
F2 P00734 1/20 0.53

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
SCHEMBL260727 0.89 TSHR (1.00) TSHRLMNAGAAPOLBCA2
Terephthalamide SCHEMBL27950892 0.89 TSHR (1.00) TSHRLMNAGAAPOLBCA2
Hydrochloric Acid SCHEMBL11203029 0.87 TSHR (0.96) TSHRLMNAGAACA2CA1
Hydrochloric Acid SCHEMBL27509957 0.85 TSHR (0.92) TSHRLMNAGAAPOLBCA2
Methyl Alcohol SCHEMBL27858599 0.85 TSHR (0.92) TSHRLMNAGAACA2CA1
SCHEMBL15608431 0.84 CA2 (0.71) TSHRLMNAGAAPOLBCA2
SCHEMBL9136696 0.84 TDP1 (0.78) TSHRPOLBCA2CA1CA12
SCHEMBL5696165 0.83 TSHR (0.88) TSHRLMNAGAAPOLBCA2
SCHEMBL11855965 0.82 CA2 (0.67) LMNAGAAPOLBCA2CA1
SCHEMBL11419996 0.82 CA2 (0.67) LMNAGAAPOLBCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof AJINOMOTO CO. INC 2004-01-01 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B TSHR 4456/4885LMNA 1934/4885GAA 704/4885
US-20040002521-A1 Cyclopropanecarboxylic acid amide compound and pharmaceutical use thereof NFKBIA, IKBKB, CHUK TSHR 4806/4885LMNA 3431/4885GAA 2773/4885

“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.