SCHEMBL18601807

SCHEMBL18601807

CC(C)CCCCCCNC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
NPY4R P50391 4/20 0.34
NPY1R P25929 3/20 0.34
NPY2R P49146 3/20 0.34
NPY5R Q15761 3/20 0.34
SPHK1 Q9NYA1 3/20 0.33
ALB P02768 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL22277155 1.00 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL5089242 1.00 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Hydrochloric Acid SCHEMBL6241672 0.98 MEN1 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL19145361 0.98 MEN1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL7935092 0.91 MEN1 (0.44) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL434308 0.86 MEN1 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
Trifluoroacetic Acid SCHEMBL7439215 0.85 NPY4R (0.44) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL433663 0.84 MEN1 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL17525175 0.83 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL11418945 0.83 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-05-11 US disclosed
US-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-05-11 US disclosed
EP-2410842-B1 SANITIZER FORMULATIONS ARCH CHEM INC (US) 2017-03-08 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 (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-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS RNMT, RNGTT, CAPG MEN1 3586/4885CYP1A2 4135/4885KMT2A 1942/4885

“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.