SCHEMBL3218256

SCHEMBL3218256

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc(Cl)c(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 8/20 0.49
LCK P06239 1/20 0.45
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DDR2 Q16832 1/20 0.42
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
FABP4 P15090 2/20 0.41
MAPK14 Q16539 1/20 0.41
KCNK3 O14649 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
FABP5 Q01469 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40

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
SCHEMBL3216359 0.90 CXCR5 (0.48) CXCR5LCKFABP4MAPK14FABP5
SCHEMBL13455706 0.87 CXCR5 (0.47) CXCR5FABP4ERAP1
SCHEMBL774222 0.85 CXCR5 (0.45) CXCR5FABP4MAPK14ERAP1
SCHEMBL3220332 0.84 ERAP1 (0.45) CXCR5ERAP1
SCHEMBL3211202 0.82 CXCR5 (0.50) CXCR5ERAP1
SCHEMBL3221799 0.82 GPR132 (0.44) CXCR5MAPK14
SCHEMBL3218321 0.82 CXCR5 (0.49) CXCR5KCNK3
SCHEMBL3207455 0.82 CXCR5 (0.46) CXCR5FABP4FABP5ERAP1
SCHEMBL3224691 0.78 NPC1 (0.46) CXCR5RORBALDH1A1ERAP1
SCHEMBL3216718 0.78 LPAR1 (0.46) CXCR5ERAP1

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 CXCR5 3298/4885LCK 1754/4885RORC 1190/4885

“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.