SCHEMBL3771506

SCHEMBL3771506

O=C(Nc1ccc2ccccc2n1)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.75
RAB9A P51151 6/20 0.75
PTGES O14684 1/20 0.64
KCNK3 O14649 2/20 0.62
KCNK9 Q9NPC2 2/20 0.62
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMO Q99835 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MTOR P42345 1/20 0.51

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
SCHEMBL3771110 0.87 NPC1 (0.63) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3771629 0.87 NPC1 (0.66) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL3771069 0.87 NPC1 (0.78) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL3764441 0.87 RAB9A (0.78) NPC1RAB9AKCNK3KCNK9MAPT
SCHEMBL23657654 0.87 NPC1 (1.00) NPC1RAB9AKMT2A
SCHEMBL3771639 0.86 NPC1 (0.75) NPC1RAB9APTGESMEN1KMT2A
SCHEMBL3772942 0.86 KCNK3 (0.62) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL3770483 0.86 KMT2A (0.62) NPC1RAB9APTGESMAPTMEN1
SCHEMBL3771572 0.86 NPC1 (0.59) NPC1RAB9APTGESMEN1KMT2A
SCHEMBL3769427 0.84 NPC1 (0.66) NPC1RAB9AMEN1KMT2AMTOR

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
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

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 2083/4885PTGES 54/4885

“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.