SCHEMBL455775

SCHEMBL455775

O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 1/20 0.56
▸ NT5E P21589 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RAD1 O60671 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ ERN1 O75460 1/20 0.45
▸ PDE2A O00408 1/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PDE1B Q01064 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4D Q08499 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
SCHEMBL670637 1.00 RAD51 (0.56) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL455776 1.00 RAD51 (0.56) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL29356717 1.00 RAD51 (0.56) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL6815520 0.98 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL7744489 0.98 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL8653989 0.98 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL10633178 0.98 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL9818822 0.98 RAD51 (0.58) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL6815530 0.98 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL7744491 0.98 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190000791-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER Board of Supervisors for the University of Louisiana System 2019-01-03 — — US claimed
CN-108654686-A A kind of catalyst of photocatalytic reduction of carbon oxide and preparation method thereof 北京化工大学 2018-10-16 — — CN claimed
CN-108017565-A Hydrogenating reduction method prepares DSD acid 江苏淮河化工有限公司 2018-05-11 — — CN claimed
CN-105315177-A Synthesis process of DSD acid ZHEJIANG QECOTE ENVIRONMENTAL TECHNOLOGY CO LTD 2016-02-10 — — CN claimed
CN-103642490-B D (Donor)/A (Acceptor) type stilbene molecule co-intercalated hydrotalcite composite photoelectric material and preparation method thereof UNIV BEIJING CHEMICAL 2014-12-31 — — CN claimed
CN-103642490-A D (Donor)/A (Acceptor) type stilbene molecule co-intercalated hydrotalcite composite photoelectric material and preparation method thereof UNIV BEIJING CHEMICAL 2014-03-19 — — CN claimed
EP-0953153-B1 METHOD OF DIAGNOSING AND TREATING GLIOMAS UAB RESEARCH FOUNDATION (US) 2013-07-10 — — EP claimed
US-8114432-B2 Ion transport mechanism interference agent is capable of interfering with the cellular mechanisms of lens epithelial cells while leaving other ocular cells unharmed Zhang, Jin Jun (CN) 2012-02-14 — — US claimed
US-7985405-B2 Ion transport mechanism interference agent is capable of interfering with the cellular mechanisms of lens epithelial cells while leaving other ocular cells unharmed ZHANG, JIN JAN (CN) 2011-07-26 — — US claimed
US-20100168030-A1 Methods and compositions for treatment of organophosphate-caused pathology ARMY, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2010-07-01 — — US claimed
EP-0026154-B1 PROCESS FOR PREPARING 4,4'-DINITROSTILBENE-2,2'-DISULFONIC ACID AND ITS SALTS AND ITS USE CIBA-GEIGY AG (CH) 1983-06-29 — — EP claimed
US-4348335-A Process for the partial reduction of polynitrated diaryl compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 — — US claimed
EP-0026154-A1 Process for preparing 4,4'-dinitrostilbene-2,2'-disulfonic acid and its salts and its use CIBA-GEIGY AG (CH) 1981-04-01 — — EP claimed
EP-0018541-A1 Process for the preparation of 4-nitrotoluene-2-sulfonic acid BAYER AG (DE) 1980-11-12 — — EP claimed
US-4217304-A Continuous reduction process CIBA-GEIGY AG (CH) 1980-08-12 — — US claimed
US-4179476-A Semi-continuous process for obtaining amino compounds CIBA-GEIGY CORPORATION (US) 1979-12-18 — — US claimed
US-4070395-A CATATALYTIC HYDROGENATION, RANEY NICKEL, DICYANDIAMIDE NIPPON KAYAKU KABUSHIKI KAISHA (JA) 1978-01-24 — — US claimed
US-4051177-A PROCESS FOR THE PREPARATION OF UNSATURATED AMINO COMPOUNDS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US claimed
US-4002673-A GROUP VIII METAL SULFIDE AS HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US claimed
US-3989743-A Process for the preparation of 4,4'-diaminostilbene-2,2'-disulphonic acid BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 — — 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 (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-20190000791-A1 ISOTHIOCYANATOSTILBENES AS A NOVEL METHOD AND PRODUCT FOR TREATING CANCER SI, PCMT1, HDAC8 RAD51 4231/4885NT5E 4493/4885ALDH1A1 819/4885

“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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