SCHEMBL3224873

SCHEMBL3224873

O=C(NCCc1ccc2c(c1)OCO2)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
KMT2A Q03164 2/20 0.62
FAAH O00519 3/20 0.61
KLF5 Q13887 2/20 0.55
NAMPT P43490 1/20 0.55
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
PAX8 Q06710 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HIF1A Q16665 1/20 0.51
THRB P10828 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
SCHEMBL11717444 0.81 NPC1 (0.76) NPC1RAB9AKMT2AFAAHKLF5
SCHEMBL107323 0.81 RAB9A (0.81) NPC1RAB9AKMT2AKLF5NAMPT
SCHEMBL5039674 0.81 NPC1 (0.68) NPC1RAB9AKMT2AFAAHKLF5
SCHEMBL5039677 0.81 NPC1 (0.68) NPC1RAB9AKMT2AFAAHKLF5
SCHEMBL3223389 0.80 RAB9A (0.65) NPC1RAB9AKMT2AFAAHMEN1
SCHEMBL17822164 0.79 NPC1 (1.00) NPC1RAB9AKMT2AKLF5MEN1
SCHEMBL30666147 0.79 NPC1 (1.00) NPC1RAB9AKMT2AKLF5MEN1
SCHEMBL13423693 0.79 HIF1A (0.60) NPC1RAB9AKMT2ANAMPTMEN1
SCHEMBL5045742 0.79 NPC1 (0.65) NPC1RAB9AKMT2AFAAHKLF5
SCHEMBL10248246 0.78 FAAH (0.66) NPC1RAB9AKMT2AFAAHKLF5

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B NPC1 2916/4885RAB9A 3552/4885KMT2A 764/4885

“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.