SCHEMBL774222

SCHEMBL774222

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 10/20 0.45
ERAP1 Q9NZ08 1/20 0.45
GPR132 Q9UNW8 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LPAR1 Q92633 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FABP4 P15090 2/20 0.40
MAPK14 Q16539 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
SCHEMBL13455706 0.98 CXCR5 (0.47) CXCR5ERAP1GPR132LPAR1FABP4
SCHEMBL3220332 0.92 ERAP1 (0.45) CXCR5ERAP1GPR132MEN1KMT2A
SCHEMBL3207455 0.89 CXCR5 (0.46) CXCR5ERAP1GPR132LPAR1FABP4
SCHEMBL3216718 0.89 LPAR1 (0.46) CXCR5ERAP1GPR132LPAR1
SCHEMBL3216359 0.89 CXCR5 (0.48) CXCR5ERAP1GPR132MEN1KMT2A
SCHEMBL3212003 0.89 FABP4 (0.50) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3219801 0.86 CXCR5 (0.47) CXCR5ERAP1GPR132HDAC1HDAC8
SCHEMBL3221799 0.85 GPR132 (0.44) CXCR5GPR132MEN1KMT2ALPAR1
SCHEMBL3218256 0.85 CXCR5 (0.49) CXCR5ERAP1FABP4MAPK14
SCHEMBL3224691 0.85 NPC1 (0.46) CXCR5ERAP1MEN1KMT2ACYP1A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US claimed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US claimed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US claimed
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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 (4 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-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 CXCR5 4205/4885ERAP1 2355/4885GPR132 1434/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B CXCR5 3298/4885ERAP1 1699/4885GPR132 3576/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 CXCR5 4205/4885ERAP1 2355/4885GPR132 1434/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 CXCR5 4372/4885ERAP1 2601/4885GPR132 1338/4885

“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.