Sugi Predict

Sugi Predict / Compounds / SCHEMBL4833152

SCHEMBL4833152

SCHEMBL4833152

O=C(Cl)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ TSHR P16473 5/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 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
SCHEMBL31441001 1.00 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AMEN1GRIN2D
SCHEMBL10789939 0.88 ALDH1A1 (0.48) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL19213270 0.87 CES2 (0.52) ALDH1A1TSHRKMT2AMEN1GRIN2D
SCHEMBL206197 0.87 TSHR (0.57) ALDH1A1TSHRKMT2AMEN1GRIN2D
SCHEMBL11002006 0.87 LMNA (0.47) ALDH1A1TSHRKMT2AMEN1GRIN2D
Hydrochloric Acid SCHEMBL10824597 0.85 TSHR (0.55) ALDH1A1TSHRKMT2AMEN1GRIN2D
SCHEMBL7226325 0.84 GRIN2D (0.41) ALDH1A1TSHRKMT2AMEN1GRIN2D
SCHEMBL8887009 0.84 KMT2A (0.44) ALDH1A1TSHRKMT2AMEN1GRIN2D
SCHEMBL1625522 0.84 KMT2A (0.51) ALDH1A1TSHRKMT2AMEN1GRIN2D
SCHEMBL16955218 0.81 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AMEN1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531654-A The method for preparing dicarboxylic acid compound 第三共株式会社 2018-01-02 — — CN claimed
EP-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 — — EP claimed
JP-2003507459-A — — 2003-02-25 — — JP claimed
EP-1210335-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 — — EP claimed
WO-2001014342-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 — — WO claimed
JP-57083502-A — — None — — JP disclosed
JP-61095008-A — — None — — JP disclosed
US-20230346781-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 — — US disclosed
US-20230346781-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 — — US disclosed
US-11759461-B2 Small molecule inhibitors of cancer stem cells and mesenchymal cancer types THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 — — US disclosed
US-11759461-B2 Small molecule inhibitors of cancer stem cells and mesenchymal cancer types THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 — — US disclosed
US-20210196713-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES THE SCRIPPS RESEARCH INSTITUTE (US) 2021-07-01 — — US disclosed
CN-1215054-A Bychclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1999-04-28 — — CN disclosed
CN-1041921-C Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-03 — — CN disclosed
US-5585373-A STABILITY, LOWER TOXICITY TAIHO PHARMACEUTICAL CO., LTD (JP) 1996-12-17 — — US disclosed
CN-1094718-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-09 — — CN disclosed
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 — — US disclosed
EP-0261503-A1 Heterocyclic amido derivatives of substituted benzoic acids and therapeutic compositions which contain them as active principle VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1988-03-30 — — EP disclosed
JP-S6195008-A PRODUCTION OF PHOTOSENSITIVE POLYMER NISHIKUBO TATATOMI 1986-05-13 — — JP disclosed
JP-S5783502-A PHOTOSENSITIVE POLYMER AND ITS PREPARATION NISHIKUBO TATATOMI 1982-05-25 — — JP 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-20210196713-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES VIM, BRCA1, CDH1 ALDH1A1 536/4885TSHR 4108/4885KMT2A 1251/4885
US-20230346781-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS AND MESENCHYMAL CANCER TYPES VIM, CDH1, BRCA1 ALDH1A1 521/4885TSHR 4116/4885KMT2A 1156/4885
US-11759461-B2 Small molecule inhibitors of cancer stem cells and mesenchymal cancer types VIM, BRCA1, CDH1 ALDH1A1 536/4885TSHR 4108/4885KMT2A 1251/4885

“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.