SCHEMBL3223389

SCHEMBL3223389

O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.65
NPC1 O15118 13/20 0.65
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
MAOB P27338 2/20 0.65
MAPT P10636 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
PKM P14618 2/20 0.63
ALDH1A1 P00352 2/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
CASP3 P42574 3/20 0.61
SENP7 Q9BQF6 3/20 0.61
POLB P06746 2/20 0.61
TP53 P04637 3/20 0.61
HPGD P15428 1/20 0.61
FAAH O00519 1/20 0.60
SENP6 Q9GZR1 2/20 0.58
KDM4E B2RXH2 2/20 0.58

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
SCHEMBL3224873 0.80 NPC1 (0.64) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5174923 0.80 NPC1 (0.84) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL6295679 0.79 NPC1 (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL108116 0.79 NPC1 (1.00) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL775160 0.79 MAPT (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27179668 0.78 RAB9A (0.90) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL3199806 0.77 PTPN1 (0.67) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11238457 0.76 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL3208598 0.76 POLB (0.70) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13561178 0.76 NPC1 (0.76) RAB9ANPC1MEN1KMT2AMAOB

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 RAB9A 3552/4885NPC1 2916/4885MEN1 2335/4885

“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.