SCHEMBL1705356

SCHEMBL1705356

O=C1C(=O)c2nc3ccccc3nc2-c2ccccc21

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.88
MAPT P10636 4/20 0.88
SMN1; SMN2 Q16637 3/20 0.88
NPC1 O15118 3/20 0.88
ALDH1A1 P00352 3/20 0.88
AHR P35869 1/20 0.88
MAPK1 P28482 2/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
PKM P14618 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
TP53 P04637 1/20 0.56
USP8 P40818 2/20 0.53
USP7 Q93009 1/20 0.53
USP47 Q96K76 1/20 0.53
PTPRC P08575 3/20 0.50
APAF1 O14727 2/20 0.50
TDP2 O95551 2/20 0.50
CTSL P07711 1/20 0.50

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
SCHEMBL824427 0.93 RAB9A (1.00) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL15196680 0.84 MAPT (0.67) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL2489961 0.83 MAPT (0.73) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL17333584 0.81 MAPT (0.70) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL2681287 0.79 RAB9A (0.74) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL25879765 0.79 RAB9A (0.57) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL19304794 0.79 RAB9A (0.91) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
Anthraquinone SCHEMBL5550279 0.79 MAPT (0.67) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL15196935 0.79 MAPT (0.67) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL18462381 0.78 RAB9A (0.93) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051345-B2 Metalloinsertor complexes targeted to DNA mismatches CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-06-09 US disclosed
WO-2014200497-A1 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-12-18 WO disclosed
US-8859533-B2 Metalloinsertor complexes targeted to DNA mismatches CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-14 US disclosed
US-8825411-B2 Design, synthesis and assembly of synthetic nucleic acids DNA TWOPOINTO, INC. (US) 2014-09-02 US disclosed
EP-2441769-B1 Design, synthesis and assembly of synthetic nucleic acids REPLIGEN CORP (US) 2014-05-07 EP disclosed
EP-2707377-A2 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES California Institute of Technology (US) 2014-03-19 EP disclosed
US-20130345189-A1 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-12-26 US disclosed
US-20130196864-A1 DESIGN, SYNTHESIS AND ASSEMBLY OF SYNTHETIC NUCLEIC ACIDS DNA TWOPOINTO, INC. (US) 2013-08-01 US disclosed
US-20130090319-A1 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES CALIFORNIA INSTITUTE OF TECHNOLOGY 2013-04-11 US disclosed
WO-2012155004-A2 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES CALIFORNIA INSITUTE OF TECHNOLOGY (US) 2012-11-15 WO disclosed
EP-2441769-A1 Design, synthesis and assembly of synthetic nucleic acids REPLIGEN CORPORATION (US) 2012-04-18 EP disclosed
US-20100093611-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES AVALON PHARMACEUTICALS, INC. 2010-04-15 US disclosed
US-20100093611-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES AVALON PHARMACEUTICALS, INC. 2010-04-15 US disclosed
US-20090317873-A1 Design, synthesis and assembly of synthetic nucleic acids DNA TWOPOINTO, INC. 2009-12-24 US disclosed
US-20080300842-A1 Design, Synthesis and Assembly of Synthetic Nucleic Acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-04 US disclosed
WO-2008144011-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES AVALON PHARMACEUTICALS (US) 2008-11-27 WO disclosed
US-7345172-B2 Methods and compositions for detecting polynucleotide duplex damage and errors CALFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-03-18 US disclosed
EP-1771579-A2 DESIGN, SYNTHESIS AND ASSEMBLY OF SYNTHETIC NUCLEIC ACIDS DNA TWOPOINTO INC. (US) 2007-04-11 EP disclosed
WO-2005115102-A2 DESIGN, SYNTHESIS AND ASSEMBLY OF SYNTHETIC NUCLEIC ACIDS DNA TWOPOINTO, INC. (US) 2005-12-08 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 (3 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-20100093611-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING AUTOIMMUNE DISEASES IKBKB, IKBKG, NFKBIA RAB9A 2834/4885MAPT 3345/4885SMN1; SMN2 4218/4885
US-20130090319-A1 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES MSH2, MSH6, PMS2 RAB9A 1218/4885MAPT 3901/4885SMN1; SMN2 1023/4885
US-20130345189-A1 METALLOINSERTOR COMPLEXES TARGETED TO DNA MISMATCHES MSH2, MSH6, PMS2 RAB9A 1218/4885MAPT 3901/4885SMN1; SMN2 1023/4885

“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.