SCHEMBL3211253

SCHEMBL3211253

O=[N+]([O-])c1cccc(Oc2cccc([N+](=O)[O-])c2Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RECQL P46063 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR2 Q92731 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
KCNH2 Q12809 1/20 0.44
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ATM Q13315 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL16519973 0.88 TDP1 (0.48) NPC1RAB9AL3MBTL1RECQLALDH1A1
SCHEMBL6513674 0.86 ALDH1A1 (0.46) NPC1RAB9AL3MBTL1RECQLALDH1A1
SCHEMBL27315010 0.80 TDP1 (0.41) NPC1RAB9AALDH1A1TDP1MEN1
SCHEMBL27676532 0.80 GPR35 (0.51) NPC1RAB9ATDP1KDM4EMEN1
SCHEMBL4690724 0.80 TDP1 (0.41) NPC1RAB9ARECQLALDH1A1TDP1
SCHEMBL4692661 0.80 PDE7A (0.46) NPC1RAB9AALDH1A1TDP1MEN1
SCHEMBL27611660 0.80 HSD17B10 (0.56) NPC1RAB9AL3MBTL1ALDH1A1TDP1
SCHEMBL7628284 0.78 KMT2A (0.48) RAB9AALDH1A1MEN1KMT2APOLB
SCHEMBL4686653 0.78 TSHR (0.55) RAB9AL3MBTL1ALDH1A1TDP1KDM4E
SCHEMBL721361 0.78 TDP1 (0.39) NPC1RAB9AHPGDALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674918-B2 Fluorescent dyes and complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-03-09 US disclosed
US-20070238884-A1 Fluorescent Dyes and Complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-10-11 US disclosed
EP-0410606-B1 Siloxane polymers and positive working light-sensitive compositions comprising the same FUJI PHOTO FILM CO LTD (JP) 1996-11-13 EP disclosed
US-5338640-A Alkali-developable; resistance to oxygen etching; multilayer photoresists; photolithographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 1994-08-16 US disclosed
US-5278273-A Additional polymer FUJI PHOTO FILM CO., LTD. (JP) 1994-01-11 US disclosed
US-5276124-A Ladder polymers, photoresists, lithographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 1994-01-04 US disclosed
US-5252686-A Siloxane polymers and positive working light-sensitive compositions comprising the same FUJI PHOTO FILM CO., LTD. (JP) 1993-10-12 US disclosed
US-5216105-A SILICONE POLYMERS AND POSITIVE WORKING LIGHT-SENSITIVE COMPOSITIONS COMPRISING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1993-06-01 US disclosed
EP-0410606-A2 Siloxane polymers and positive working light-sensitive compositions comprising the same FUJI PHOTO FILM CO., LTD. (JP) 1991-01-30 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 (1 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-20070238884-A1 Fluorescent Dyes and Complexes F12, PYM1, ANXA6 NPC1 4118/4885RAB9A 546/4885L3MBTL1 1855/4885

“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.