SCHEMBL3777657

SCHEMBL3777657

Cc1nc2ccc(NC(=O)c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.66
NPC1 O15118 11/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
HTT P42858 1/20 0.66
KCNK3 O14649 2/20 0.62
KCNK9 Q9NPC2 2/20 0.62
KMT2A Q03164 4/20 0.57
PTGES O14684 1/20 0.56
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 2/20 0.55
NOD2 Q9HC29 1/20 0.55
RXFP1 Q9HBX9 2/20 0.55
POLB P06746 1/20 0.54
MEN1 O00255 3/20 0.54
RECQL P46063 1/20 0.54
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL31423384 0.85 RAB9A (0.60) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL30387733 0.81 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL3775117 0.80 ALDH1A1 (0.71) SMN1; SMN2KCNK3KCNK9PTGESMAPT
SCHEMBL30300523 0.79 NPC1 (0.73) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL1380178 0.78 NPC1 (0.54) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL3778242 0.78 KCNK3 (0.61) RAB9ANPC1KCNK3KCNK9KMT2A
SCHEMBL5801648 0.78 TRPV1 (0.57) RAB9ANPC1SMN1; SMN2HTTKCNK3
SCHEMBL3766556 0.77 KCNK3 (0.82) RAB9ANPC1SMN1; SMN2HTTKCNK3
SCHEMBL3778087 0.77 KCNK3 (0.69) RAB9ANPC1SMN1; SMN2HTTKCNK3
SCHEMBL3779837 0.76 PTGES (0.69) RAB9ANPC1KCNK3KCNK9PTGES

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 RAB9A 2083/4885NPC1 145/4885SMN1; 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.