Sugi Predict

Sugi Predict / Compounds / SCHEMBL1029644

SCHEMBL1029644

SCHEMBL1029644

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.64
▸ CYP19A1 P11511 1/20 0.62
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ MMP1 P03956 1/20 0.61
▸ MMP2 P08253 1/20 0.61
▸ MMP9 P14780 1/20 0.61
▸ MMP8 P22894 1/20 0.61
▸ MMP13 P45452 1/20 0.61
▸ LMNA P02545 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ THRB P10828 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ NPY5R Q15761 1/20 0.52

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
SCHEMBL29570715 1.00 KMT2A (0.66) KMT2AMEN1ALDH1A1CYP19A1CA1
Hydrochloric Acid SCHEMBL14832815 0.98 KMT2A (0.64) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL30649118 0.92 KMT2A (0.71) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL4389696 0.92 KMT2A (0.71) KMT2AMEN1ALDH1A1CYP19A1CA1
Acetic Acid SCHEMBL3817020 0.92 KMT2A (0.61) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL12720636 0.91 KMT2A (0.63) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL7899203 0.89 KMT2A (0.61) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL29571128 0.89 KMT2A (0.68) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL31284709 0.89 KMT2A (0.68) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL27006685 0.89 KMT2A (0.68) KMT2AMEN1ALDH1A1CYP19A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 — — US disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 — — EP disclosed
CN-116783160-A Libraries of compounds 中外制药株式会社 2023-09-19 — — CN disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 — — CN disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 — — US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 — — EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 — — US disclosed
EP-1446401-B1 C5-modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2011-09-14 — — EP disclosed
CN-101044123-A Pyrimidine derivatives condensed with non-aromatic rings ASTELLAS PHARMA INC (JP) 2007-09-26 — — CN disclosed
EP-1803710-A1 PYRIMIDINE DERIVATIVE CONDENSED WITH NON-AROMATIC RING Astellas Pharma Inc. (JP) 2007-07-04 — — EP disclosed
EP-1446401-A4 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2006-04-12 — — EP disclosed
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines MASTALERZ HAROLD 2005-09-22 — — US disclosed
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 — — US disclosed
CN-1615306-A C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2005-05-11 — — CN disclosed
EP-1446401-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2004-08-18 — — EP disclosed
US-20030186983-A1 C-5 Modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 — — US disclosed
WO-2003042172-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 — — WO disclosed
US-6316623-B1 USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2001-11-13 — — 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 (4 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KMT2A 4667/4885MEN1 4491/4885ALDH1A1 4077/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 KMT2A 2852/4885MEN1 2301/4885ALDH1A1 180/4885
US-20030186983-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR KMT2A 2942/4885MEN1 2138/4885ALDH1A1 2091/4885
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR KMT2A 2949/4885MEN1 2738/4885ALDH1A1 2381/4885

“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.