SCHEMBL1968028

SCHEMBL1968028

NNc1ccc(C=Cc2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
ATM Q13315 1/20 0.57
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
GRM4 Q14833 3/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
IP6K1 Q92551 1/20 0.41
KDR P35968 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
IDO1 P14902 1/20 0.40
CYP2C19 P33261 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
SCHEMBL3629451 1.00 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
Hydrochloric Acid SCHEMBL5470036 0.98 NPC1 (0.55) MEN1KMT2ANPC1RAB9AATM
Hydrochloric Acid SCHEMBL591897 0.98 NPC1 (0.55) MEN1KMT2ANPC1RAB9AATM
Hydrochloric Acid SCHEMBL29443430 0.98 NPC1 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL28595722 0.84 KMT2A (0.80) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29419010 0.84 KMT2A (0.80) MEN1KMT2ANPC1RAB9AATM
SCHEMBL14385683 0.82 NPC1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL16070584 0.79 MEN1 (0.64) MEN1KMT2ANPC1RAB9AATM
SCHEMBL4638429 0.79 MEN1 (0.64) MEN1KMT2ANPC1RAB9AATM
SCHEMBL31611950 0.79 MEN1 (0.64) MEN1KMT2ANPC1RAB9AATM

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604702-B1 Methods for direct detection of DNA damage UNIV CHICAGO (US) 2015-07-01 EP claimed
US-20140220696-A1 METHODS AND COMPOSITIONS FOR DIRECT DETECTION OF DNA DAMAGE UNIVERSITY OF CHICAGO (US) 2014-08-07 US claimed
US-8580516-B2 Methods and compositions for direct detection of DNA damage UNIVERSITY OF CHICAGO (US) 2013-11-12 US claimed
EP-2604702-A1 Methods and compositions for direct detection of DNA damage The University of Chicago (US) 2013-06-19 EP claimed
US-20100216132-A1 METHODS AND COMPOSITIONS FOR DIRECT DETECTION OF DNA DAMAGE UNIVERSITY OF CHICAGO 2010-08-26 US claimed
WO-2002094769-A1 SOLID REAGENT FOR SAMPLING AND DERIVATIZATION OF CARBONYL COMPOUNDS SEQUANT AB (SE) 2002-11-28 WO claimed
EP-0553054-A2 A process for the examination of individual items for the contents of a fat-soluble compound Slagteriernes Forskningsinstitut (DK) 1993-07-28 EP claimed
EP-2604702-B1 Methods for direct detection of DNA damage UNIV CHICAGO (US) 2015-07-01 EP disclosed
US-20140220696-A1 METHODS AND COMPOSITIONS FOR DIRECT DETECTION OF DNA DAMAGE UNIVERSITY OF CHICAGO (US) 2014-08-07 US disclosed
US-8580516-B2 Methods and compositions for direct detection of DNA damage UNIVERSITY OF CHICAGO (US) 2013-11-12 US disclosed
EP-2604702-A1 Methods and compositions for direct detection of DNA damage The University of Chicago (US) 2013-06-19 EP disclosed
EP-2334814-A1 METHODS AND COMPOSITIONS FOR DIRECT DETECTION OF DNA DAMAGE Solulink Biosciences, Inc. (US) 2011-06-22 EP disclosed
US-20100216132-A1 METHODS AND COMPOSITIONS FOR DIRECT DETECTION OF DNA DAMAGE UNIVERSITY OF CHICAGO 2010-08-26 US disclosed
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis KOSAK KENNETH M 2006-02-23 US disclosed
US-20050153913-A1 Nucleic acid carrier compositions and methods for their synthesis KOSAK KENNETH M (US) 2005-07-14 US disclosed
WO-2002094769-A1 SOLID REAGENT FOR SAMPLING AND DERIVATIZATION OF CARBONYL COMPOUNDS SEQUANT AB (SE) 2002-11-28 WO disclosed
EP-0449295-B1 Novel quinoxalinone derivative BIO SENSOR KENKYUSHO KK (JP) 1996-06-26 EP disclosed
US-5324835-A Useful as luminescent labelling reagents or reagents for determining hydrogen peroxide BIOSENSOR LABORATORIES CO., LTD. (JP) 1994-06-28 US disclosed
EP-0553054-A2 A process for the examination of individual items for the contents of a fat-soluble compound Slagteriernes Forskningsinstitut (DK) 1993-07-28 EP disclosed
EP-0449295-A1 Novel quinoxalinone derivative BIOSENSOR LABORATORIES CO., LTD. (JP) 1991-10-02 EP 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 (2 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-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis TLR9, TLR3, EXOSC5 MEN1 3610/4885KMT2A 2007/4885NPC1 246/4885
US-20050153913-A1 Nucleic acid carrier compositions and methods for their synthesis DNA2, POLRMT, SLC29A2 MEN1 2855/4885KMT2A 4153/4885NPC1 581/4885

“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.