SCHEMBL5324716

SCHEMBL5324716

[CH2]c1cc(-c2ccccc2)n(CC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TNNI3 P19429 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
TNNT2 P45379 1/20 0.40
CASP7 P55210 1/20 0.40
TNNC1 P63316 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CRHR2 Q13324 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H3 Q13133 2/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL5328707 0.86 SMPD1 (0.45) MEN1CRHBPMAPK1CASP1CASP7
SCHEMBL5328840 0.83 SMPD1 (0.52) MEN1CRHBPKMT2ACRHR2NR1H3
SCHEMBL5325270 0.81 NR1H2 (0.47) NR1H2NPC1RAB9ASMPD1S1PR1
SCHEMBL8445837 0.80 SMN1; SMN2 (0.51) KDM4EMEN1KMT2AATMNPC1
SCHEMBL5324718 0.80 NPC1 (0.56) KDM4ENR1H3NR1H2NPC1RAB9A
SCHEMBL23403521 0.79 SMPD1 (0.41) KDM4EMEN1USP2TNNI3CRHBP
SCHEMBL17279999 0.79 SMN1; SMN2 (0.50) KDM4EMEN1KMT2AATMTDP1
SCHEMBL3757964 0.76 DDB1 (0.43) KDM4EKMT2ANR1H3NR1H2NPC1
SCHEMBL1738076 0.75 MARS1 (0.64) KDM4EMEN1KMT2AL3MBTL1SMPD1
SCHEMBL13698767 0.75 PTGS1 (0.58) KDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 KDM4E 4305/4885MEN1 2853/4885USP2 3940/4885

“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.