SCHEMBL8515801

SCHEMBL8515801

CCCSc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 1/20 0.39

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 SCHEMBL27740356 0.97 MAPT (0.55) MAPTTSHRTDP1ALDH1A1MEN1
Zinc Chloride SCHEMBL27740353 0.94 MAPT (0.52) MAPTTSHRTDP1ALDH1A1MEN1
SCHEMBL6678642 0.91 MEN1 (0.49) MAPTTSHRTDP1ALDH1A1MEN1
SCHEMBL1538922 0.88 MAPT (0.56) MAPTTSHRTDP1ALDH1A1MEN1
SCHEMBL18815092 0.87 TSHR (0.54) MAPTTSHRTDP1ALDH1A1MEN1
SCHEMBL11833302 0.86 TSHR (0.50) MAPTTSHRTDP1ALDH1A1MEN1
SCHEMBL11630094 0.85 TSHR (0.46) MAPTTSHRTDP1ALDH1A1MEN1
SCHEMBL11752365 0.85 ALDH1A1 (0.49) MAPTTSHRTDP1ALDH1A1MEN1
SCHEMBL11838661 0.82 MEN1 (0.49) MAPTTSHRTDP1ALDH1A1MEN1
SCHEMBL11747845 0.82 MEN1 (0.49) MAPTTSHRTDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462453-A Synthesis method and application of propylthio-o-phenylenediamine 河北美荷药业有限公司 2025-02-18 CN claimed
CN-110498752-B Preparation method of 4-propylthio-2-nitroaniline 山东国邦药业有限公司 2021-03-12 CN claimed
CN-112125853-A Production process and production device of albendazole 宁夏大漠药业有限公司 2020-12-25 CN claimed
CN-104945292-B Process for preparing 4-propylthio-o-phenylenediamine 济南大学 2017-04-19 CN claimed
CN-104945292-A Process for preparing 4-propylthio-o-phenylenediamine UNIV JINAN 2015-09-30 CN claimed
US-20130303782-A1 PROCESS FOR PREPARATION OF ALBENDAZOLE SEQUENT SCIENTIFIC LIMITED (IN) 2013-11-14 US claimed
EP-2643304-A2 A PROCESS FOR PREPARATION OF ALBENDAZOLE Sequent Scientific Ltd. (IN) 2013-10-02 EP claimed
WO-2012070069-A2 A PROCESS FOR PREPARATION OF ALBENDAZOLE SEQUENT SCIENTIFIC LIMITED (IN) 2012-05-31 WO claimed
CN-101270068-B Method for preparing 2-nitryl-4-propylthioaniline CHANGZHOU YABANG QIHUI PHARMACEUTICAL CHEMICAL ENGINEERING CO LTD 2011-05-18 CN claimed
CN-101270091-B Method for preparing albendazole CHANGZHOU YABANG QIHUI PHARMACEUTICAL CHEMICAL ENGINEERING CO LTD 2010-12-29 CN claimed
CN-101270068-A Method for preparing 2-nitryl-4-propylthioaniline CHANGZHOU YABANG QIHUI PHARMAC (CN) 2008-09-24 CN claimed
CN-101270091-A Method for preparing albendazole CHANGZHOU YABANG QIHUI PHARMAC (CN) 2008-09-24 CN claimed
CN-119793522-A Multilayer core-shell structure catalyst and preparation method and application thereof 浙江工业大学 2025-04-11 CN disclosed
CN-119793521-A Pd with monocrystal4S supported catalyst, preparation method and application 浙江工业大学 2025-04-11 CN disclosed
CN-119707831-A Synthesis of albenzene method for preparing dazole 河北美荷药业有限公司 2025-03-28 CN disclosed
CN-119462453-A Synthesis method and application of propylthio-o-phenylenediamine 河北美荷药业有限公司 2025-02-18 CN disclosed
EP-0003951-A1 Process for the preparation of 2-benzimidazolecarbamic acid esters ETHYL CORPORATION (US) 1979-09-19 EP disclosed
US-4152522-A FROM ORTHO-NITROANILINE ETHYL CORPORATION (US) 1979-05-01 US disclosed
US-4076825-A Method of treating helminthiasis by parenteral or topical administration of sulfoxide derivatives of benzimidazoles E. R. SQUIBB & SONS, INC. (US) 1978-02-28 US disclosed
US-4072696-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1978-02-07 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-20130303782-A1 PROCESS FOR PREPARATION OF ALBENDAZOLE CPS1, PNPO, NAT1 MAPT 3557/4885TSHR 2307/4885TDP1 3997/4885

“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.