SCHEMBL3779790

SCHEMBL3779790

C[C@H](NC(=O)c1cccc(NC(=O)c2ccccc2F)c1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
F2R P25116 1/20 0.50
PPARG P37231 1/20 0.49
PTGES O14684 1/20 0.49

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
SCHEMBL3771456 1.00 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3766322 0.88 KCNK3 (0.56) KCNK3KCNK9
SCHEMBL3776657 0.88 KCNK3 (0.56) KCNK3KCNK9
SCHEMBL3768793 0.87 PTGES (0.66) MEN1KMT2ASMN1; SMN2KCNK3KCNK9
SCHEMBL3777535 0.87 PTGES (0.52) MEN1KMT2AKCNK3KCNK9PTGES
SCHEMBL3770507 0.87 PTGES (0.66) MEN1KMT2ASMN1; SMN2KCNK3KCNK9
SCHEMBL3770521 0.87 F2R (0.55) MEN1KMT2ANPC1RAB9AKCNK3
SCHEMBL3764346 0.87 PTGES (0.52) MEN1KMT2AKCNK3KCNK9PTGES
SCHEMBL3777602 0.87 F2R (0.55) MEN1KMT2ANPC1RAB9AKCNK3
SCHEMBL3772371 0.87 KCNK3 (0.58) KCNK3KCNK9F2RPTGES

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 MEN1 668/4885KMT2A 4126/4885SMN1; SMN2 1085/4885

“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.