SCHEMBL4346405

SCHEMBL4346405

COC(=O)C(=[N+]=[N-])c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
MMP3 P08254 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CDC25B P30305 2/20 0.42
PTPN1 P18031 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
DEGS1 O15121 1/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL8074423 0.84 CDC25B (0.56) PLK1NR4A1NR4A2NR4A3CDC25B
SCHEMBL28319862 0.80 NPC1 (0.44) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL5046741 0.80 NR4A1 (0.58) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL14639033 0.79 LMNA (0.50) MAPTKMT2AKDM4EALDH1A1POLB
SCHEMBL7640335 0.78 PLK1 (0.58) PLK1MMP3HDAC8NR4A1NR4A2
SCHEMBL13734754 0.78 POLB (0.46) MAPTRAB9AKMT2AKDM4EALDH1A1
SCHEMBL27981110 0.78 CTSD (0.51) MAPTNPC1RAB9AKMT2APOLB
SCHEMBL29487353 0.78 POLB (0.46) MAPTRAB9AKMT2AKDM4EALDH1A1
SCHEMBL27152360 0.78 PKM (0.48) MAPTNPC1RAB9APTPN1KMT2A
SCHEMBL27874622 0.78 KMT2A (0.42) MAPTNPC1RAB9AKMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004498-B Optically active spiral polycarbocarbene block copolymer and preparation method thereof 合肥工业大学 2022-05-31 CN claimed
CN-113004498-A Optically active spiral polycarbocarbene block copolymer and preparation method thereof 合肥工业大学 2021-06-22 CN claimed
CN-113004498-B Optically active spiral polycarbocarbene block copolymer and preparation method thereof 合肥工业大学 2022-05-31 CN disclosed
CN-113004498-A Optically active spiral polycarbocarbene block copolymer and preparation method thereof 合肥工业大学 2021-06-22 CN disclosed
CN-101400642-A Cyclopropane compounds with central nervous system activity UNIV NEW YORK (US) 2009-04-01 CN disclosed
US-7501453-B2 Cyclopropanes with central nervous system activity THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-03-10 US disclosed
US-20070244201-A1 Cyclopropanes with central nervous system activity NIH-DEITR 2007-10-18 US disclosed
US-6025502-A CATALYTICALLY REACTING AN ARYL HYDRAZONE SUBSTITUTED ACETATE ESTER WITH A NITROGEN HETEROCYCLIC COMPOUND WHICH HAS THE NITROGEN PROTECTED, THEN DEPROTECTING THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-02-15 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-20070244201-A1 Cyclopropanes with central nervous system activity PMP22, CNR1, CNR2 PLK1 3962/4885MMP3 2075/4885HDAC8 1066/4885

“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.