SCHEMBL230956

SCHEMBL230956

NC(=O)[N]c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.54
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 2/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MDM2 Q00987 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL10509447 0.76 PLG (0.43) PLGNOS3NOS1NOS2NAPRT
SCHEMBL1703883 0.76 PLG (0.54) PLGNOS3NOS1NOS2NAPRT
SCHEMBL54470 0.75 HTR3E (0.50) NOS3NOS1NAPRTCYP2D6CYP1A2
SCHEMBL1008978 0.74 HTR3E (0.60) NOS3NOS1NOS2NAPRTKDM4E
SCHEMBL4587367 0.71 CYP2C19 (0.54) NOS3NOS1NOS2KDM4ECYP2D6
SCHEMBL163160 0.71 HTR3E (0.54) NOS3NOS1NOS2CYP2D6ALDH1A1
SCHEMBL3962045 0.71 SLC22A2 (0.54) NOS3NOS1NOS2CA1ALDH1A1
SCHEMBL164098 0.70 PLG (1.00) PLGNOS3NOS1NOS2CYP2D6
SCHEMBL5507382 0.69 NOS3 (0.40) PLGNOS3NOS1NOS2NAPRT
Hydrochloric Acid SCHEMBL11099753 0.68 PLG (0.95) PLGNOS3NOS1NOS2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319890-B1 AZO COMPOUND, AZO PIGMENT, PIGMENT DISPERSION, COLOR COMPOSITION, INKJET RECORDING INK, COLOR COMPOSITION FOR COLOR FILTER, COLOR FILTER, AND METHOD FOR PREPARING COLOR COMPOSITION FOR COLOR FILTER FUJIFILM CORP (JP) 2015-10-28 EP disclosed
US-8828132-B2 Pigment composition, ink for inkjet recording, coloring composition for color filter, and color filter FUJIFILM CORPORATION (JP) 2014-09-09 US disclosed
US-8470054-B2 Azo compound, azo pigment, pigment dispersion, coloring composition, color filter, ink for inkjet recording, and printing ink FUJIFILM CORPORATION (JP) 2013-06-25 US disclosed
US-8465553-B2 Pigment dispersion composition, colored curable composition, color filter for solid-state image sensor and method of producing the same, and solid-state image sensor FUJIFILM CORPORATION (JP) 2013-06-18 US disclosed
US-20130036938-A1 AZO COMPOUND, AZO PIGMENT, PIGMENT DISPERSION, COLORING COMPOSITION, COLOR FILTER, INK FOR INKJET RECORDING, AND PRINTING INK FUJIFILM CORPORATION (JP) 2013-02-14 US disclosed
US-20130000511-A1 PIGMENT COMPOSITION, INK FOR INKJET RECORDING, COLORING COMPOSITION FOR COLOR FILTER, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed
EP-2524006-A1 PIGMENT COMPOSITION, INK FOR INKJET RECORDING, COLORING COMPOSITION FOR COLOR FILTER, AND COLOR FILTER FUJIFILM Corporation (JP) 2012-11-21 EP disclosed
EP-2524007-A1 PIGMENT DISPERSION COMPOSITION, COLORED CURABLE COMPOSITION, COLOR FILTER FOR SOLID-STATE IMAGE SENSOR AND METHOD OF PRODUCING THE SAME, AND SOLID-STATE IMAGE SENSOR FUJIFILM Corporation (JP) 2012-11-21 EP disclosed
US-20120286145-A1 PIGMENT DISPERSION COMPOSITION, COLORED CURABLE COMPOSITION, COLOR FILTER FOR SOLID-STATE IMAGE SENSOR AND METHOD OF PRODUCING THE SAME, AND SOLID-STATE IMAGE SENSOR FUJIFILM CORPORATION (JP) 2012-11-15 US disclosed
US-8226734-B2 Azo compound, azo pigment, pigment dispersion, coloring composition, ink for inkjet recording, coloring composition for color filter, color filter, and process for preparing a coloring composition for color filter FUJIFILM CORPORATION (JP) 2012-07-24 US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 US disclosed
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US 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 (5 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 PLG 2700/4885NOS3 1928/4885NOS1 2275/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 PLG 4522/4885NOS3 659/4885NOS1 851/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 PLG 4493/4885NOS3 635/4885NOS1 815/4885
US-20130036938-A1 AZO COMPOUND, AZO PIGMENT, PIGMENT DISPERSION, COLORING COMPOSITION, COLOR FILTER, INK FOR INKJET RECORDING, AND PRINTING INK RB1, CRY1, TYR PLG 3954/4885NOS3 1574/4885NOS1 1311/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 PLG 4523/4885NOS3 677/4885NOS1 869/4885

“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.