SCHEMBL21114062

SCHEMBL21114062

Fc1cc(OCCOCCCCl)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NSD2 O96028 1/20 0.41
NSD3 Q9BZ95 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
NCF1 P14598 6/20 0.36
TSHR P16473 1/20 0.35
MAOB P27338 2/20 0.35
LSS P48449 1/20 0.34
SLC6A4 P31645 1/20 0.34
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL1777505 0.92 NSD2 (0.45) NSD2NSD3MAOBLSSSLC6A4
SCHEMBL7934071 0.83 RARB (0.43) KDM4EMAPK1TDP1NSD2NSD3
SCHEMBL21114131 0.81 NSD2 (0.41) KDM4EMAPK1TDP1NSD2NSD3
SCHEMBL2482331 0.78 NSD2 (0.45) NSD2NSD3NPC1MAPTRAB9A
SCHEMBL21113969 0.77 NSD2 (0.44) NSD2NSD3NPC1MAPTRAB9A
SCHEMBL8226162 0.77 NSD2 (0.44) NSD2NSD3SLC6A4FFAR1EGFR
SCHEMBL21113929 0.77 NSD2 (0.44) NSD2NSD3SLC6A4FFAR1PPARG
SCHEMBL21113960 0.76 RARB (0.42) KDM4ETDP1NPC1SMN1; SMN2RARA
SCHEMBL21113959 0.76 KDM4E (0.45) KDM4ETDP1NPC1MAPTRAB9A
SCHEMBL25299247 0.76 NSD2 (0.46) NSD2NSD3NPC1MAPTRAB9A

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 KDM4E 4784/4885MAPK1 2265/4885TDP1 4422/4885

“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.