SCHEMBL21114010

SCHEMBL21114010

CC(c1ccc(Br)cc1)c1ccc(OCCCCCCBr)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CARM1 Q86X55 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS1 P29475 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL21113934 0.87 L3MBTL1 (0.41) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL21113953 0.85 LSS (0.41) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL21163674 0.85 LSS (0.41) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL21114066 0.84 LSS (0.39) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL21122103 0.83 LSS (0.39) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL21114072 0.81 LSS (0.63) LSSMEN1KMT2A
SCHEMBL21114091 0.74 L3MBTL1 (0.40) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL21114060 0.73 NSD2 (0.43) LSSMEN1KMT2ANPC1RAB9A
SCHEMBL21114046 0.73 NSD2 (0.43) LSSMEN1KMT2ANPC1RAB9A
SCHEMBL6396448 0.73 MAOB (0.41) NPC1RAB9ADRD3

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 LSS 438/4885MEN1 3651/4885KMT2A 4674/4885

“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.