SCHEMBL160648

SCHEMBL160648

O=C(O)CNc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
EGFR P00533 2/20 0.51
GRK2 P25098 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.50
TGM2 P21980 1/20 0.49
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL7850241 0.88 RAB9A (0.45) GAAEGFRGRK2SMN1; SMN2RAB9A
SCHEMBL21194007 0.87 MTNR1A (0.53) GRK2SMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL340537 0.86 AKR1C3 (0.55) GAAAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL28463830 0.84 GRK2 (0.56) GAAGRK2SMN1; SMN2RAB9ATGM2
SCHEMBL20053951 0.82 ATM (0.55) GAAEGFRSMN1; SMN2TGM2ALDH1A1
SCHEMBL14761535 0.81 GRK2 (0.53) GAAGRK2SMN1; SMN2RAB9ATGM2
SCHEMBL9779970 0.81 GAA (0.53) GAAGRK2SMN1; SMN2RAB9ATGM2
SCHEMBL28325184 0.81 GAA (0.61) GAAEGFRGRK2SMN1; SMN2RAB9A
SCHEMBL20961712 0.80 GAA (0.50) GAAGRK2SMN1; SMN2RAB9ATGM2
Hydrochloric Acid SCHEMBL11309314 0.79 CYP3A4 (0.52) SMN1; SMN2RAB9AAKR1C3ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109494401-B Holographic polymer electrolyte and preparation method and application thereof 华中科技大学 2021-02-09 CN claimed
CN-107544207-B Holographic photopolymer based on thiol olefin click reaction 华中科技大学 2020-06-02 CN claimed
CN-111048976-A Inorganic perovskite quantum dot distributed feedback laser 曲阜师范大学 2020-04-21 CN claimed
CN-110994344-A Organic laser based on holographic polymer dispersed liquid crystal grating 曲阜师范大学 2020-04-10 CN claimed
CN-109494401-A A kind of holographic polymer electrolyte and the preparation method and application thereof 华中科技大学 2019-03-19 CN claimed
CN-107544207-A A kind of holographic photopolymer based on mercaptan alkene click-reaction 华中科技大学 2018-01-05 CN claimed
CN-105968240-A Photo-curable resin composition for three-dimensional printing and three-dimensional printing system 郑正元 2016-09-28 CN claimed
US-20160264696-A1 PHOTOCURABLE RESIN AND THREE-DIMENSIONAL PRINTING SYSTEM NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2016-09-15 US claimed
CN-104882190-A Nanowire-based flexible transparent conducting electrode and preparation method thereof GUANGZHOU INST ADVANCED TECHNOLOGY CAS 2015-09-02 CN claimed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US claimed
CN-102344504-B Visible light photoinitiation system for preparing high diffraction efficiency holographic photopolymer material UNIV HUAZHONG SCIENCE TECH 2013-03-13 CN claimed
CN-102344504-A Visible light photoinitiation system for preparing high diffraction efficiency holographic photopolymer material UNIV HUAZHONG SCIENCE TECH 2012-02-08 CN claimed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US claimed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US claimed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO claimed
WO-2005122379-A9 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY UNIV CALIFORNIA (US) 2006-03-09 WO claimed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US claimed
WO-2005122379-A2 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 WO claimed
US-20260083852-A1 PROTEOGLYCAN MIMETICS FOR ENHANCED WOUND HEALING, ANGIOGENESIS, AND VASCULAR REPAIR UNIV CALIFORNIA (US) 2026-03-26 US disclosed
WO-1999047154-A1 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 1999-09-23 WO 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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 GAA 3849/4885EGFR 328/4885GRK2 1626/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 GAA 3437/4885EGFR 552/4885GRK2 2202/4885
US-20260083852-A1 PROTEOGLYCAN MIMETICS FOR ENHANCED WOUND HEALING, ANGIOGENESIS, AND VASCULAR REPAIR PDGFA, DCLRE1A, PDGFRA GAA 2925/4885EGFR 115/4885GRK2 1333/4885

“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.