SCHEMBL775098

SCHEMBL775098

O=C(NCC1CCCO1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.63
KMT2A Q03164 4/20 0.60
MEN1 O00255 1/20 0.60
RAB9A P51151 3/20 0.58
ATM Q13315 1/20 0.58
NPC1 O15118 2/20 0.57
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
GAA P10253 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
HSD17B10 Q99714 2/20 0.55
EIF4E P06730 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPK14 Q16539 2/20 0.54
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL3218355 0.83 MAPK14 (0.74) KMT2AMEN1CYP2C9MAPK14
SCHEMBL29687327 0.79 HPGD (1.00) HPGDKMT2AMEN1RAB9AATM
SCHEMBL743611 0.79 HPGD (1.00) HPGDKMT2AMEN1RAB9AATM
SCHEMBL30678539 0.79 HPGD (1.00) HPGDKMT2AMEN1RAB9AATM
SCHEMBL13423686 0.78 MAPK14 (0.64) MAPK14
SCHEMBL3435882 0.78 KMT2A (0.69) HPGDKMT2AMEN1NPC1CYP2C9
SCHEMBL5112695 0.76 MAPK14 (0.77) HPGDKMT2AMEN1CYP2C9MAPK14
SCHEMBL14082513 0.75 KMT2A (0.68) HPGDKMT2AMEN1RAB9AATM
SCHEMBL3211244 0.75 MAPK14 (0.62) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL14082122 0.74 KMT2A (0.64) HPGDKMT2AMEN1RAB9AATM

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 12 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-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-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

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 HPGD 1246/4885KMT2A 3661/4885MEN1 40/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B HPGD 1778/4885KMT2A 764/4885MEN1 2335/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 HPGD 1246/4885KMT2A 3661/4885MEN1 40/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 HPGD 1376/4885KMT2A 3489/4885MEN1 26/4885

“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.