SCHEMBL3224691

SCHEMBL3224691

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc(Cl)c(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAOB P27338 1/20 0.46
PKM P14618 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NAMPT P43490 1/20 0.43
HTT P42858 1/20 0.43
CCR2 P41597 1/20 0.43
ERAP1 Q9NZ08 1/20 0.42
PTGS2 P35354 1/20 0.42
CXCR5 P32302 1/20 0.42
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
POLB P06746 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL3220332 0.86 ERAP1 (0.45) NPC1RAB9AMEN1KMT2AERAP1
SCHEMBL774222 0.85 CXCR5 (0.45) MEN1KMT2AERAP1CXCR5CYP1A2
SCHEMBL13455706 0.85 CXCR5 (0.47) ERAP1CXCR5
SCHEMBL3207455 0.82 CXCR5 (0.46) ERAP1CXCR5
SCHEMBL3216359 0.80 CXCR5 (0.48) MEN1KMT2AMAPTKDM4EERAP1
SCHEMBL3216718 0.80 LPAR1 (0.46) ERAP1CXCR5
SCHEMBL3221799 0.78 GPR132 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3218321 0.78 CXCR5 (0.49) NPC1RAB9AMEN1KMT2ACXCR5
SCHEMBL3218256 0.78 CXCR5 (0.49) ALDH1A1ERAP1CXCR5RORB
SCHEMBL3219801 0.77 CXCR5 (0.47) ERAP1CXCR5CYP3A4

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 disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B NPC1 2916/4885RAB9A 3552/4885MEN1 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.