SCHEMBL4701332

SCHEMBL4701332

CN(CC(=O)O)C(=O)c1cnc(NNC(=S)NC2c3ccccc3CSc3ccccc32)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
RAD52 P43351 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RCE1 Q9Y256 2/20 0.35
ALDH1A1 P00352 4/20 0.32
ALOX12 P18054 2/20 0.32
HPGD P15428 1/20 0.32
TBXA2R P21731 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 2/20 0.31
AGTR1 P30556 1/20 0.31
NOD2 Q9HC29 1/20 0.30

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
SCHEMBL4698850 0.90 BDKRB2 (0.35) GAAMAPTTDP1LMNASMN1; SMN2
SCHEMBL6385280 0.87 GAA (0.38) GAAMAPTKMT2AKDM4ECYP2C19
SCHEMBL4698835 0.85 ROCK2 (0.36) GAAMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4700441 0.81 BDKRB2 (0.38) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6385415 0.81 KMT2A (0.37) GAAMAPTKMT2AKDM4ECYP2C19
SCHEMBL6391408 0.81 ALDH1A1 (0.39) GAAMAPTTDP1LMNASMN1; SMN2
SCHEMBL4702236 0.80 P2RY12 (0.34) GAAMAPTKMT2AMEN1L3MBTL1
SCHEMBL6387777 0.79 KDM4E (0.42) GAAMAPTKMT2AKDM4EMEN1
SCHEMBL6385743 0.79 ALDH1A1 (0.41) KMT2ACYP2C19MEN1TDP1SMN1; SMN2
SCHEMBL6389727 0.79 ALDH1A1 (0.41) KMT2ACYP2C19MEN1TDP1SMN1; SMN2

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
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP claimed
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 GAA 1270/4885MAPT 4133/4885KMT2A 1888/4885

“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.