SCHEMBL21114060

SCHEMBL21114060

Fc1cc(OCCCCCCBr)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.43
NSD3 Q9BZ95 1/20 0.43
LSS P48449 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 2/20 0.37
ALDH2 P05091 1/20 0.37
MAOB P27338 1/20 0.37
SLC6A4 P31645 3/20 0.36
PRMT1 Q99873 3/20 0.36
F2 P00734 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36
PLAU P00749 1/20 0.36
GAA P10253 1/20 0.36
PRMT5 O14744 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
TMPRSS2 O15393 1/20 0.36
PTP4A3 O75365 1/20 0.36
SLC22A3 O75751 1/20 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
SCHEMBL21114046 1.00 NSD2 (0.43) NSD2NSD3LSSMEN1KMT2A
SCHEMBL21113969 0.98 NSD2 (0.44) NSD2NSD3LSSMEN1KMT2A
SCHEMBL25299247 0.87 NSD2 (0.46) NSD2NSD3MAOBSLC6A4KCNH2
SCHEMBL6396448 0.86 MAOB (0.41) MAOAALDH2MAOBSLC6A4PRMT1
SCHEMBL6660968 0.85 NR5A1 (0.50) CYP2D6HTR2AMAPT
SCHEMBL8751857 0.85 NR5A1 (0.50) CYP2D6HTR2AMAPT
SCHEMBL8216480 0.85 NR5A1 (0.50) CYP2D6HTR2AMAPT
SCHEMBL8751856 0.85 NR5A1 (0.50) CYP2D6HTR2AMAPT
SCHEMBL8731575 0.85 NR5A1 (0.50) CYP2D6HTR2AMAPT
SCHEMBL9698432 0.85 NR5A1 (0.50) CYP2D6HTR2AMAPT

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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
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

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 NSD2 4579/4885NSD3 4606/4885LSS 438/4885

“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.