SCHEMBL4199372

SCHEMBL4199372

COC(=O)c1cc(C)c(Br)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 2/20 0.43
TPMT P51580 1/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL28690833 0.86 VCAM1 (0.51) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL29407123 0.86 VCAM1 (0.51) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL6159554 0.85 KMT2A (0.53) MAPTKDM4ELMNAALDH1A1PKM
SCHEMBL636992 0.84 VCAM1 (0.50) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL8841189 0.84 VCAM1 (0.50) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL31161317 0.84 VCAM1 (0.52) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL15432231 0.84 VCAM1 (0.52) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL29203484 0.83 VCAM1 (0.49) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL5332962 0.83 GPR35 (0.56) VCAM1MAPTKDM4ELMNAALDH1A1
SCHEMBL2897814 0.83 VCAM1 (0.51) VCAM1MAPTKDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
EP-3974426-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporation (US) 2022-03-30 EP disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
CN-106413402-B Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2020-10-30 CN disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
CN-1665800-A Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2005-09-07 CN disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
WO-2005002627-A2 CONJUGATED COMPLEMENT CASCADE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-01-13 WO disclosed
US-20050004031-A1 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
EP-0206635-B1 PREPARATION OF 3-AMINO-4-HYDROXYBENZOIC ACIDS THE DOW CHEMICAL COMPANY (US) 1989-11-15 EP disclosed
EP-0206635-A1 Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1986-12-30 EP 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 (5 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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R VCAM1 3273/4885MAPT 3296/4885KDM4E 3990/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R VCAM1 3003/4885MAPT 2762/4885KDM4E 4271/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 VCAM1 3287/4885MAPT 2680/4885KDM4E 1741/4885
US-20050004031-A1 Conjugated complement cascade inhibitors C9, CFH, CFB VCAM1 198/4885MAPT 2992/4885KDM4E 4381/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 VCAM1 3287/4885MAPT 2680/4885KDM4E 1741/4885

“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.