SCHEMBL3770530

SCHEMBL3770530

NC(=O)c1cccc(C(=O)Nc2ccc3ccccc3n2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.71
▸ RAB9A P51151 7/20 0.71
▸ MTOR P42345 1/20 0.60
▸ CYP3A4 P08684 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ PDE10A Q9Y233 2/20 0.51
▸ MAP3K7 O43318 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ PLAU P00749 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CNR2 P34972 1/20 0.48

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
SCHEMBL3770533 0.86 NPC1 (0.71) NPC1RAB9AMTORCYP3A4ADORA3
SCHEMBL6257291 0.84 NPC1 (1.00) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL3764441 0.82 RAB9A (0.78) NPC1RAB9AMTORKMT2AMEN1
SCHEMBL1250709 0.81 NPC1 (0.67) NPC1RAB9AMTORCYP3A4ADORA3
SCHEMBL28230040 0.80 NPC1 (0.66) NPC1RAB9AMTORCYP3A4POLB
SCHEMBL3769427 0.80 NPC1 (0.66) NPC1RAB9AMTORCYP3A4ADORA3
Hydrochloric Acid SCHEMBL6455792 0.79 PDE10A (0.46) NPC1RAB9AMTORPDE10AKMT2A
Hydrochloric Acid SCHEMBL6455785 0.79 PDE10A (0.46) NPC1RAB9AMTORPDE10AKMT2A
SCHEMBL3776712 0.78 RAB9A (0.67) NPC1RAB9AMTORPDE10AKMT2A
SCHEMBL3771629 0.78 NPC1 (0.66) NPC1RAB9AMTORKMT2AMEN1

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 NPC1 145/4885RAB9A 2083/4885MTOR 1673/4885

“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.

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