SCHEMBL296001

SCHEMBL296001

O=[N+]([O-])S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ PKM P14618 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA5A P35218 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ PLA2G7 Q13093 1/20 0.44
▸ CA13 Q8N1Q1 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
Hydrochloric Acid SCHEMBL27033007 0.98 KMT2A (0.47) KMT2AHTR6PKMALDH1A1CA2
SCHEMBL5848016 0.78 GAA (0.54) KMT2AALDH1A1CA2CA12CA9
SCHEMBL9709553 0.77 ALDH1A1 (0.46) KMT2AHTR6PKMALDH1A1CA2
SCHEMBL875132 0.76 KMT2A (0.46) KMT2AHTR6PKMALDH1A1CA2
SCHEMBL17023196 0.73 CA2 (0.48) KMT2AHTR6ALDH1A1CA2CA12
SCHEMBL2588031 0.73 SMN1; SMN2 (0.48) KMT2AHTR6PKMALDH1A1CA2
SCHEMBL8537935 0.73 ALDH1A1 (0.48) KMT2AHTR6PKMALDH1A1CA2
SCHEMBL8522574 0.72 HTR6 (0.50) HTR6ALDH1A1CA2CA12CA9
SCHEMBL8547987 0.72 ALDH1A1 (0.52) HTR6ALDH1A1CA2CA12CA9
SCHEMBL1465801 0.72 HTR6 (0.50) HTR6ALDH1A1CA2CA12CA9

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 432 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12537221-B2 Electrolyte for secondary battery and secondary battery including the same DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-01-27 — — US claimed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 — — WO claimed
WO-2024042448-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RUXOLITINIB GRANULES INDIA LIMITED (IN) 2024-02-29 — — WO claimed
WO-2024028999-A1 METHOD FOR PRODUCING N-[4-METHYLAMINOBENZOYL]-L-GLUTAMIC ACID DIETHYL ESTER ILS株式会社 2024-02-08 — — WO claimed
US-20220407116-A1 ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY INCLUDING THE SAME DAEGU GYEONGBUK INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-22 — — US claimed
US-10081633-B2 Adenylyl cyclase inhibitors, pharmaceutical compositions and method of use thereof VASADE BIOSCIENCES, INC. 2018-09-25 — — US claimed
WO-2017222946-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF VASADE BIOSCIENCES (US) 2017-12-28 — — WO claimed
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 — — US claimed
US-8835685-B2 Process for the preparation of contrast agents BRACCO IMAGING S.P.A. (IT) 2014-09-16 — — US claimed
EP-2593423-B1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2014-09-03 — — EP claimed
US-6660764-B2 Telomerase inhibitors such as trans-3-(benzothien-6-yl)-but-2-enoic acid-N-(2-carboxy-phenyl)-amide; use as antitumor agent BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-09 — — US claimed
EP-1066276-A1 PROCESS FOR THE SYNTHESIS OF HIV PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2001-01-10 — — EP claimed
WO-1999048885-A1 PROCESS FOR THE SYNTHESIS OF HIV PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-09-30 — — WO claimed
US-5889131-A HEAT RESISTANCE, TRANSPARENCY AND MELT PROCESSABILITY; THIN FILMS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1999-03-30 — — US claimed
US-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 — — US claimed
EP-0180813-B1 CHROMOGENIC 4,4-DIARYLDIHYDROCHINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1988-06-01 — — EP claimed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 — — EP claimed
US-4347375-A Process for preparing amino acids and esters MERCK & CO., INC. (US) 1982-08-31 — — US claimed
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US claimed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US claimed

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-12537221-B2 Electrolyte for secondary battery and secondary battery including the same NCS1, KCNN2, SLC9A1 KMT2A 810/4885HTR6 3976/4885PKM 2798/4885
US-10081633-B2 Adenylyl cyclase inhibitors, pharmaceutical compositions and method of use thereof ADCY1, ADCY2, ADCY5 KMT2A 4301/4885HTR6 1762/4885PKM 2755/4885
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 KMT2A 4301/4885HTR6 1762/4885PKM 2755/4885

“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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