SCHEMBL21114027

SCHEMBL21114027

CNCCOc1ccc(-c2nn(C)c3cc(Br)ccc23)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.42
ESR1 P03372 1/20 0.37
SCN9A Q15858 1/20 0.37
PDE2A O00408 2/20 0.36
PDK2 Q15119 2/20 0.35
RORC P51449 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
MAPT P10636 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL21113916 0.97 LSS (0.44) LSSESR1SCN9APDE2APDK2
SCHEMBL21113924 0.93 LSS (0.41) LSSESR1SCN9APDE2APDK2
SCHEMBL21114187 0.93 LSS (0.47) LSSESR1SCN9APDE2APDK2
SCHEMBL21114030 0.92 LSS (0.43) LSSESR1SCN9APDE2APDK2
SCHEMBL21113992 0.85 LSS (0.48) LSSESR1PDE2ARORC
SCHEMBL21114064 0.85 LSS (0.45) LSSESR1PDE2ARORCKDM4E
SCHEMBL21113961 0.85 LSS (0.41) LSSPDE2APDK2KDM4EALDH1A1
SCHEMBL21113936 0.84 LSS (0.48) LSSESR1PDE2APDK2RORC
SCHEMBL21114050 0.84 LSS (0.41) LSSESR1PDE2ARORCKDM4E
SCHEMBL21114116 0.83 LSS (0.55) LSSPDE2AKDM4EALDH1A1MAPT

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
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 WO disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 LSS 438/4885ESR1 4783/4885SCN9A 973/4885

“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.