SCHEMBL3781450

SCHEMBL3781450

COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc4ccccc4n3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.65
RAB9A P51151 10/20 0.65
KCNK9 Q9NPC2 2/20 0.64
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
KCNK3 O14649 2/20 0.59
KMT2A Q03164 5/20 0.58
TP53 P04637 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
PKM P14618 1/20 0.58
MEN1 O00255 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56

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
SCHEMBL3764441 0.88 RAB9A (0.78) NPC1RAB9AKCNK9KCNK3KMT2A
SCHEMBL3771069 0.86 NPC1 (0.78) NPC1RAB9AKCNK9KCNK3KMT2A
SCHEMBL3772211 0.86 NPC1 (0.67) NPC1RAB9AKCNK9CASP3SENP7
SCHEMBL3764363 0.85 NPC1 (0.65) NPC1RAB9AKCNK9CASP3SENP7
SCHEMBL3768921 0.85 RAB9A (0.69) NPC1RAB9ACASP3SENP7KMT2A
SCHEMBL3776712 0.84 RAB9A (0.67) NPC1RAB9AKCNK9KCNK3KMT2A
SCHEMBL3769427 0.83 NPC1 (0.66) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL3771110 0.82 NPC1 (0.63) NPC1RAB9AKMT2ATP53ALDH1A1
SCHEMBL3771629 0.81 NPC1 (0.66) NPC1RAB9AKCNK9KCNK3KMT2A
SCHEMBL3772942 0.81 KCNK3 (0.62) NPC1RAB9AKCNK9KCNK3KMT2A

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 NPC1 145/4885RAB9A 2083/4885KCNK9 1283/4885

“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.