SCHEMBL22801022

SCHEMBL22801022

O=C(OCc1ccccc1)c1ccc2c(c1)CCNCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
LMNA P02545 4/20 0.54
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
ACHE P22303 1/20 0.49
SRD5A1 P18405 1/20 0.48
SRD5A2 P31213 1/20 0.48
HPGD P15428 1/20 0.48
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MCHR1 Q99705 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL22801018 0.92 LMNA (0.51) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22801021 0.92 LMNA (0.51) KMT2ATDP1SLC6A2SLC6A3LMNA
Hydrochloric Acid SCHEMBL31370668 0.91 LMNA (0.50) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22801019 0.85 LMNA (0.49) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22801020 0.83 TDP1 (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20074352 0.83 KMT2A (0.53) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL30026444 0.83 KMT2A (0.53) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL30935799 0.80 MAPT (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2819829 0.80 CA12 (0.51) KMT2ALMNARAB9AALDH1A1NPC1
SCHEMBL1115098 0.80 MAPT (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA

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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 US disclosed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-17 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 (3 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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA KMT2A 1135/4885TDP1 1193/4885SLC6A2 3437/4885
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA KMT2A 1135/4885TDP1 1193/4885SLC6A2 3437/4885
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA KMT2A 1193/4885TDP1 1724/4885SLC6A2 3570/4885

“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.