SCHEMBL774938

SCHEMBL774938

O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.70
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
HPGD P15428 1/20 0.63
CD274 Q9NZQ7 1/20 0.63
SMYD2 Q9NRG4 2/20 0.63
APP P05067 1/20 0.60
ATR Q13535 2/20 0.59
MAP4K4 O95819 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
MAPT P10636 1/20 0.57
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
IKBKB O14920 1/20 0.55
EPHX2 P34913 1/20 0.55
CACNA1G O43497 1/20 0.55

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
SCHEMBL8150803 0.88 HPGD (0.76) MEN1KMT2AHPGDCD274APP
SCHEMBL1381550 0.86 ALDH1A1 (0.70) MEN1KMT2AHPGDCD274APP
SCHEMBL5578088 0.85 ERN1 (0.71) ERN1MEN1KMT2AHPGDSMYD2
SCHEMBL13060642 0.85 ERN1 (0.62) ERN1MEN1KMT2ASMYD2APP
SCHEMBL4502913 0.84 CYP1A2 (0.73) MEN1KMT2AHPGDCD274APP
SCHEMBL13061007 0.84 ERN1 (0.64) ERN1MEN1KMT2AHPGDSMYD2
Hydrochloric Acid SCHEMBL27770345 0.83 ALDH1A1 (0.71) MEN1KMT2AHPGDCD274APP
SCHEMBL773275 0.83 KMT2A (0.60) ERN1MEN1KMT2AHPGDCD274
SCHEMBL12767096 0.83 ERN1 (1.00) ERN1MEN1KMT2ASMYD2APP
SCHEMBL13005453 0.82 ERN1 (0.59) ERN1MEN1KMT2ASMYD2APP

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 13 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
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 ERN1 4184/4885MEN1 40/4885KMT2A 3661/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B ERN1 1693/4885MEN1 2335/4885KMT2A 764/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 ERN1 4184/4885MEN1 40/4885KMT2A 3661/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 ERN1 4147/4885MEN1 26/4885KMT2A 3489/4885

“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.