SCHEMBL2515524

SCHEMBL2515524

NCCCNC/C=C/CNCCCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA6 P23280 5/20 0.58
CA7 P43166 5/20 0.58
CA9 Q16790 5/20 0.58
CA14 Q9ULX7 5/20 0.58
CA5B Q9Y2D0 5/20 0.58
CA2 P00918 4/20 0.58
CA4 P22748 4/20 0.58
CA5A P35218 4/20 0.58
ALOX15 P16050 3/20 0.58
CASP2 P42575 2/20 0.58
F13A1 P00488 2/20 0.58
CYP1A2 P05177 2/20 0.58
THPO P40225 2/20 0.58
MEN1 O00255 2/20 0.58
RECQL P46063 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CA3 P07451 3/20 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
SCHEMBL2515527 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL28396673 0.92 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL13624753 0.92 CA12 (0.60) CA12CA6CA7CA9CA14
SCHEMBL5399019 0.89 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL5399016 0.89 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL6474129 0.88 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL11039519 0.88 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL11039521 0.88 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL14136410 0.86 KDM1A (0.78) CA12CA6CA7CA9CA14
SCHEMBL12978077 0.84 KDM1A (0.50) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290480-B2 Quinazoline-2,4-dione derivative, and medical compositions for the prophylaxis and treatment of cranial nerve disease containing the same Shin Poong Pharmaceuticals Co., Ltd. (KR) 2016-03-22 US disclosed
US-20130102079-A1 POLYAMINE-CONTAINING POLYMERS AND METHODS OF SYNTHESIS AND USE ALBERTA INNOVATES - TECHNOLOGY FUTURES (CA) 2013-04-25 US disclosed
US-20130102622-A1 Novel Quinazoline-2,4-Dione Derivative, and Medical Compositions for the Prophylaxis and Treatment of Cranial Nerve Disease Containing the Same SHIN POONG PHARMACEUTICAL CO., LTD. (KR) 2013-04-25 US disclosed
US-20130102730-A1 POLYAMINE-CONTAINING POLYMERS AND METHODS OF SYNTHESIS AND USE ALBERTA INNOVATES - TECHNOLOGY FUTURES (CA) 2013-04-25 US disclosed
US-8404696-B2 Quinazoline-2,4-dione derivative, and medical compositions for the prophylaxis and treatment of cranial nerve disease containing the same SHIN POONG PHARMACEUTICAL CO., LTD. (KR) 2013-03-26 US disclosed
US-20110251265-A1 POLYAMINE-CONTAINING POLYMERS AND METHODS OF SYNTHESIS AND USE ALBERTA INNOVATES - TECHNOLOGY FUTURES 2011-10-13 US disclosed
WO-2011120156-A1 POLYAMINE-CONTAINING POLYMERS AND METHODS OF SYNTHESIS AND USE ALBERTA INNOVATES - TECHNOLOGY FUTURES (CA) 2011-10-06 WO disclosed
US-20100311769-A1 NOVEL QUINAZOLINE-2,4-DIONE DERIVATIVE, AND MEDICAL COMPOSITIONS FOR THE PROPHYLAXIS AND TREATMENT OF CRANIAL NERVE DISEASE CONTAINING THE SAME SHIN POONG PHARMACEUTICAL CO., LTD. (KR) 2010-12-09 US disclosed
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7432302-B2 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof MEDIQUEST THERAPEUTICS, INC. (US) 2005-11-03 US disclosed
EP-0686143-B1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA GEIGY AG (CH) 1998-08-12 EP disclosed
US-5627215-A Unsaturate amino compounds for use as anticancer and antiprotozoic agent CIBA-GEIGY CORPORATION (US) 1997-05-06 US disclosed
EP-0686143-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT Novartis AG (CH) 1995-12-13 EP disclosed
WO-1995018091-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA-GEIGY AG (CH) 1995-07-06 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 (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-20110251265-A1 POLYAMINE-CONTAINING POLYMERS AND METHODS OF SYNTHESIS AND USE SRM, SMS, PARG CA12 4255/4885CA6 3807/4885CA7 4306/4885
US-20100311769-A1 NOVEL QUINAZOLINE-2,4-DIONE DERIVATIVE, AND MEDICAL COMPOSITIONS FOR THE PROPHYLAXIS AND TREATMENT OF CRANIAL NERVE DISEASE CONTAINING THE SAME AQP4, PMP22, CNTN1 CA12 1054/4885CA6 1567/4885CA7 499/4885
US-20130102622-A1 Novel Quinazoline-2,4-Dione Derivative, and Medical Compositions for the Prophylaxis and Treatment of Cranial Nerve Disease Containing the Same AQP4, PMP22, CNTN1 CA12 1054/4885CA6 1567/4885CA7 499/4885
US-20050245615-A1 Composition containing polyamine transport inhibitor and use thereof SLC7A1, SRM, SLC16A1 CA12 4107/4885CA6 2823/4885CA7 2264/4885

“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.