SCHEMBL22801020

SCHEMBL22801020

O=C(OCc1ccccc1)c1ccc2c(c1)CNC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.57
KMT2A Q03164 4/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
LMNA P02545 4/20 0.56
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
SRD5A1 P18405 1/20 0.50
SRD5A2 P31213 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL22801021 0.89 LMNA (0.51) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL22801018 0.89 LMNA (0.51) TDP1KMT2ASLC6A2SLC6A3LMNA
Hydrochloric Acid SCHEMBL31370668 0.88 LMNA (0.50) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL22801019 0.87 LMNA (0.49) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL22801022 0.83 KMT2A (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL27605930 0.83 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL30935799 0.82 MAPT (0.63) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL1115098 0.82 MAPT (0.63) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL7445675 0.82 SRD5A1 (0.53) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL20143631 0.80 LMNA (0.47) TDP1KMT2ASLC6A2SLC6A3LMNA

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 TDP1 1193/4885KMT2A 1135/4885SLC6A2 3437/4885
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA TDP1 1193/4885KMT2A 1135/4885SLC6A2 3437/4885
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA TDP1 1724/4885KMT2A 1193/4885SLC6A2 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.