SCHEMBL2092097

SCHEMBL2092097

CC(=O)NCC(c1ccco1)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
GAA P10253 2/20 0.66
MEN1 O00255 1/20 0.66
GLA P06280 1/20 0.66
KMT2A Q03164 1/20 0.66
LMNA P02545 1/20 0.62
RCE1 Q9Y256 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
OPRK1 P41145 2/20 0.60
TSHR P16473 1/20 0.60
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL17661794 0.78 L3MBTL1 (0.64) ALDH1A1LMNAL3MBTL1
SCHEMBL14435408 0.76 ALDH1A1 (0.49) ALDH1A1GAAMEN1GLAKMT2A
SCHEMBL28304110 0.74 KMT2A (0.47) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL2092093 0.73 ALDH1A1 (0.51) ALDH1A1GAAMEN1GLAKMT2A
SCHEMBL12513636 0.73 ALDH1A1 (0.47) ALDH1A1GAAMEN1GLAKMT2A
SCHEMBL6788095 0.72 ALDH1A1 (0.55) ALDH1A1GAAMEN1GLAKMT2A
SCHEMBL12437163 0.72 ALDH1A1 (0.46) ALDH1A1GAAMEN1GLAKMT2A
SCHEMBL3703872 0.72 NAMPT (1.00) ALDH1A1KMT2ALMNA
SCHEMBL40015 0.70 ALDH1A1 (0.46) ALDH1A1GAAMEN1GLAKMT2A
SCHEMBL8435060 0.70 SLC6A2 (0.55) LMNA

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-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885GAA 1962/4885MEN1 1785/4885

“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.