SCHEMBL5585965

SCHEMBL5585965

NC(=O)C1CC[N+]([O-])(c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
TDP2 O95551 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
GALK1 P51570 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL4732077 0.77 KDM4E (0.37) KDM4ESMN1; SMN2TDP1ALDH1A1NPSR1
SCHEMBL3436404 0.72 ALDH1A1 (0.47) KDM4ESMN1; SMN2TDP1ALDH1A1NPSR1
SCHEMBL14690857 0.72 NOTUM (0.47) KDM4ESMN1; SMN2ALDH1A1NPSR1NPC1
SCHEMBL7554935 0.70 SLC18A3 (0.32)
SCHEMBL3069555 0.66 DRD2 (0.38) PKMGAA
Biphenyl SCHEMBL3406363 0.65 SMN1; SMN2 (0.62) KDM4ESMN1; SMN2TDP1ALDH1A1CYP2C19
Cyclopropanecarboxylic Acid Amide SCHEMBL29183025 0.63 KDM4E (0.46) KDM4ESMN1; SMN2TDP1ALDH1A1NPSR1
SCHEMBL2842763 0.63 LMNA (0.33) PKMLMNA
Naphthalene SCHEMBL28572194 0.63 KDM4E (0.47) KDM4ESMN1; SMN2TDP1ALDH1A1NPSR1
SCHEMBL9064486 0.62 RAB9A (0.42) SMN1; SMN2NPC1RAB9APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US claimed

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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 KDM4E 4094/4885SMN1; SMN2 4550/4885TDP1 4530/4885

“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.