SCHEMBL3771069

SCHEMBL3771069

O=C(Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1)c1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.78
RAB9A P51151 8/20 0.78
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
TDP1 Q9NUW8 1/20 0.60
MTOR P42345 1/20 0.57
KCNK3 O14649 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
KCNK9 Q9NPC2 1/20 0.54
CNR1 P21554 1/20 0.52
POLB P06746 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
SCHEMBL3771629 0.93 NPC1 (0.66) NPC1RAB9AMEN1KMT2AMTOR
SCHEMBL3764441 0.92 RAB9A (0.78) NPC1RAB9AMEN1KMT2AMTOR
SCHEMBL3771110 0.91 NPC1 (0.63) NPC1RAB9AMEN1KMT2AMTOR
SCHEMBL12204397 0.88 NPC1 (1.00) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL3776712 0.88 RAB9A (0.67) NPC1RAB9AMEN1KMT2AMTOR
SCHEMBL3771506 0.87 NPC1 (0.75) NPC1RAB9AMEN1KMT2AMTOR
SCHEMBL3781450 0.86 NPC1 (0.65) NPC1RAB9AMEN1KMT2AMTOR
SCHEMBL3769427 0.85 NPC1 (0.66) NPC1RAB9AMEN1KMT2AMTOR
SCHEMBL3774211 0.83 NPC1 (0.64) NPC1RAB9AMEN1KMT2AMTOR
SCHEMBL3772942 0.82 KCNK3 (0.62) 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 2 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

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 2083/4885MEN1 668/4885

“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.