SCHEMBL21163907

SCHEMBL21163907

CNCCCCOc1ccc(-c2nn(C)c3ccccc23)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PDK2 Q15119 2/20 0.40
SLC6A4 P31645 1/20 0.38
HTR1B P28222 1/20 0.37
KCNA3 P22001 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL21114045 0.99 RORC (0.40) RORCL3MBTL1PDK2SLC6A4HTR1B
SCHEMBL21113961 0.86 LSS (0.41) L3MBTL1PDK2KDM4EALDH1A1HPGD
SCHEMBL21114187 0.86 LSS (0.47) RORCL3MBTL1PDK2KDM4EALDH1A1
SCHEMBL21114098 0.85 ALOX5AP (0.42) RORCL3MBTL1SLC6A4KDM4ETSHR
SCHEMBL21113916 0.83 LSS (0.44) RORCL3MBTL1PDK2HTR1BKDM4E
SCHEMBL21114027 0.80 LSS (0.42) RORCPDK2HTR1BKDM4EALDH1A1
SCHEMBL21114030 0.79 LSS (0.43) PDK2KDM4EHRH3DRD2PDE2A
SCHEMBL21113924 0.78 LSS (0.41) RORCPDK2KDM4EALDH1A1HPGD
SCHEMBL21113968 0.78 ALOX5AP (0.36) RORCKDM4EALDH1A1HPGDTSHR
SCHEMBL21163135 0.76 ESR1 (0.39) RORCL3MBTL1PDK2KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RORC 2752/4885L3MBTL1 4479/4885PDK2 3088/4885

“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.