SCHEMBL3216359

SCHEMBL3216359

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc(Cl)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 8/20 0.48
ERAP1 Q9NZ08 1/20 0.43
FABP4 P15090 2/20 0.43
IL2 P60568 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
APAF1 O14727 1/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
CASP3 P42574 1/20 0.42
GALK1 P51570 1/20 0.42
BLM P54132 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
FABP5 Q01469 1/20 0.41
LCK P06239 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
APOB P04114 1/20 0.39

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
SCHEMBL3218256 0.90 CXCR5 (0.49) CXCR5ERAP1FABP4FABP5LCK
SCHEMBL774222 0.89 CXCR5 (0.45) CXCR5ERAP1FABP4KMT2AGPR132
SCHEMBL13455706 0.89 CXCR5 (0.47) CXCR5ERAP1FABP4GPR132
SCHEMBL3220332 0.86 ERAP1 (0.45) CXCR5ERAP1KMT2AGPR132MEN1
SCHEMBL12601929 0.85 CXCR5 (0.46) CXCR5FABP4MAPK14
SCHEMBL3211202 0.84 CXCR5 (0.50) CXCR5ERAP1MAPTGPR132
SCHEMBL3207455 0.84 CXCR5 (0.46) CXCR5ERAP1FABP4FABP5GPR132
SCHEMBL3216718 0.83 LPAR1 (0.46) CXCR5ERAP1GPR132
SCHEMBL3219801 0.81 CXCR5 (0.47) CXCR5ERAP1GPR132MAPK14
SCHEMBL3224691 0.80 NPC1 (0.46) CXCR5ERAP1MAPTKMT2AKDM4E

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-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 CXCR5 3298/4885ERAP1 1699/4885FABP4 4623/4885

“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.