SCHEMBL5862004

SCHEMBL5862004

COC(=O)CC(N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A3 Q01959 4/20 0.46
TNF P01375 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
KMO O15229 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
SCHEMBL15533196 0.85 SLC6A3 (0.47) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL15533197 0.85 SLC6A3 (0.47) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL8770872 0.84 LMNA (0.49) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL692174 0.84 LMNA (0.49) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
Hydrochloric Acid SCHEMBL6777080 0.84 SLC6A3 (0.49) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL12268259 0.83 ALDH1A1 (0.51) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL22703334 0.83 CYP1A2 (0.41) LMNAALDH1A1SMN1; SMN2TNFRAB9A
SCHEMBL27462122 0.83 ALDH1A1 (0.51) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL5720979 0.82 SLC6A3 (0.40) LMNAALDH1A1HTTSMN1; SMN2SLC6A3
SCHEMBL3658423 0.82 L3MBTL1 (0.46) LMNASLC6A3L3MBTL1TSHRSLC6A4

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
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 US disclosed
US-7041667-B1 CCR5 modulators PFIZER, INC. (US) 2006-05-09 US disclosed
EP-1013276-A1 Aminoazacycloalkanes as CCR5 modulators PFIZER INC. (US) 2000-06-28 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 (2 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 LMNA 2317/4885ALDH1A1 3586/4885HTT 1454/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 LMNA 2328/4885ALDH1A1 3517/4885HTT 1416/4885

“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.