SCHEMBL8986915

SCHEMBL8986915

O=[N+]([O-])c1ccc(N(c2ccc(N(c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc3)cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.83
L3MBTL1 Q9Y468 2/20 0.83
MEN1 O00255 1/20 0.83
CRHBP P24387 1/20 0.83
KMT2A Q03164 1/20 0.83
ATM Q13315 1/20 0.83
CRHR2 Q13324 1/20 0.83
TLR9 Q9NR96 1/20 0.83
MAPT P10636 3/20 0.55
HSD17B10 Q99714 2/20 0.54
ACHE P22303 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
PHLPP2 Q6ZVD8 1/20 0.53
LMNA P02545 1/20 0.52
CES1 P23141 1/20 0.50
CA1 P00915 2/20 0.48

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
SCHEMBL310828 1.00 ALDH1A1 (0.83) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL3853529 0.91 ALDH1A1 (1.00) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL17817838 0.91 ALDH1A1 (1.00) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL1039452 0.91 ALDH1A1 (1.00) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL31194310 0.89 ALDH1A1 (0.68) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL29524560 0.89 ALDH1A1 (0.68) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL6890900 0.89 ALDH1A1 (0.68) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL15000327 0.89 ALDH1A1 (0.68) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL9948773 0.89 MAPT (0.70) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL10336868 0.89 ALDH1A1 (0.68) ALDH1A1L3MBTL1MEN1CRHBPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473802-B2 Method of producing near-infrared absorbing dye compound FUJIFILM CORPORATION (JP) 2009-01-06 US disclosed
US-7473802-B2 Method of producing near-infrared absorbing dye compound FUJIFILM CORPORATION (JP) 2009-01-06 US disclosed
US-20080221355-A1 Method of producing near-infrared absorbing dye compound FUJI PHOTO FILM CO., LTD. (JP) 2008-09-11 US disclosed
US-20080221355-A1 Method of producing near-infrared absorbing dye compound FUJI PHOTO FILM CO., LTD. (JP) 2008-09-11 US disclosed
WO-2007073000-A1 METHOD FOR PRODUCING POLYANILINE COMPOUND FUJIFILM CORPORATION (JP) 2007-06-28 WO disclosed
US-5482822-A MULTILAYER ELEMENT FOR OPTICAL DISKS WITH SUBSTRATE AND OPTICAL COATINGS CANON KABUSHIKI KAISHA (JP) 1996-01-09 US disclosed
EP-0305054-B1 IR-ray absorptive compound and optical recording medium by use thereof CANON KK (JP) 1994-03-30 EP disclosed
US-5245030-A Durability, radiation resistance CANON KABUSHIKI KAISHA (JP) 1993-09-14 US disclosed
US-5108873-A IR-ray absorptive compound and optical recording medium by use thereof CANON KABUSHIKI KAISHA (JP) 1992-04-28 US disclosed
US-4923390-A AMINE OR QUATERNARY SALTS USED AS PHOTOSTABILIZERS WITH METHINE DYES; HEAT AND RADIATION RESISTANCE; DURABILITY; OPTICAL CARDS AND DISKS; LASERS CANON KABUSHIKI KAISHA (JP) 1990-05-08 US disclosed
EP-0305054-A1 IR-ray absorptive compound and optical recording medium by use thereof CANON KABUSHIKI KAISHA (JP) 1989-03-01 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-20080221355-A1 Method of producing near-infrared absorbing dye compound S100A11, IK, TAS2R31 ALDH1A1 778/4885L3MBTL1 2677/4885MEN1 1743/4885

“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.