SCHEMBL20596642

SCHEMBL20596642

CCOC(=O)Cc1cn2c(Br)ccc(NC(=O)OC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 4/20 0.38
THRB P10828 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 3/20 0.36
FPR1 P21462 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 1/20 0.36
NLRP3 Q96P20 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36

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
SCHEMBL20596634 0.87 LMNA (0.40) SMN1; SMN2MEN1KMT2AALOX15TSHR
SCHEMBL20595976 0.83 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AALOX15TSHR
SCHEMBL20596644 0.80 KDM4E (0.41) SMN1; SMN2MEN1KMT2AALOX15TSHR
SCHEMBL20596641 0.79 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AALOX15TSHR
SCHEMBL20596633 0.72 GAA (0.47) SMN1; SMN2MEN1KMT2AKDM4ETHRB
Hydrochloric Acid SCHEMBL23391613 0.72 GAA (0.46) SMN1; SMN2MEN1KMT2AKDM4ETHRB
SCHEMBL20596629 0.68 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AALOX15TSHR
SCHEMBL20595928 0.68 KDM4E (0.43) SMN1; SMN2MEN1KMT2AALOX15TSHR
SCHEMBL16278345 0.66 KDM4E (0.42) SMN1; SMN2MEN1KMT2AALOX15LMNA
SCHEMBL7319485 0.65 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AALOX15TSHR

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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 US disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 US disclosed
WO-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 WO 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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 SMN1; SMN2 1129/4885MEN1 1598/4885KMT2A 1475/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR SMN1; SMN2 1329/4885MEN1 2393/4885KMT2A 1280/4885

“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.