SCHEMBL3775369

SCHEMBL3775369

O=C(Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.64
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.61
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
PTGS1 P23219 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
PTGES O14684 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
CNR2 P34972 1/20 0.57
RXFP1 Q9HBX9 2/20 0.57
P2RX1 P51575 1/20 0.56
BRAF P15056 1/20 0.55
RHOC P08134 1/20 0.55
RHOA P61586 1/20 0.55
ESR1 P03372 1/20 0.55
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL3767063 0.94 RHOC (0.63) KCNK3LMNAMAPTRAB9ANPC1
SCHEMBL28230040 0.94 NPC1 (0.66) KCNK3LMNAMAPTRAB9ANPC1
SCHEMBL3764441 0.87 RAB9A (0.78) KCNK3MAPTRAB9ANPC1MEN1
SCHEMBL3779837 0.87 PTGES (0.69) KCNK3RAB9ANPC1PTGS1PTGES
SCHEMBL3771069 0.82 NPC1 (0.78) KCNK3RAB9ANPC1MEN1KMT2A
SCHEMBL3771629 0.82 NPC1 (0.66) KCNK3RAB9ANPC1MEN1KMT2A
SCHEMBL3776712 0.82 RAB9A (0.67) KCNK3RAB9ANPC1MEN1HTT
SCHEMBL3769427 0.82 NPC1 (0.66) RAB9ANPC1MEN1KMT2A
SCHEMBL3770483 0.82 KMT2A (0.62) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4433745 0.81 NPC1 (0.73) MAPTRAB9ANPC1PTGS1KMT2A

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 4 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
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO 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 KCNK3 1692/4885LMNA 2648/4885MAPT 1426/4885

“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.