SCHEMBL714850

SCHEMBL714850

[c]1ccc(-c2cn(-c3ccccc3)nn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA5A P35218 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
PTGS1 P23219 1/20 0.54
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CDC7 O00311 1/20 0.49
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
BCHE P06276 1/20 0.49
OGT O15294 2/20 0.48
FLT3 P36888 3/20 0.47
GSK3B P49841 2/20 0.47
P2RX7 Q99572 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL1119554 0.87 PTGS2 (0.66) PTGS2CA1CA2CA5ACA5B
Bromide SCHEMBL6256547 0.85 PTGS2 (0.64) PTGS2CA1CA2CA5ACA5B
SCHEMBL26628312 0.80 PTGS2 (0.67) PTGS2CA1CA2CA5ACA5B
SCHEMBL17002364 0.80 CA2 (0.58) PTGS2CA1CA2CA5ACA5B
SCHEMBL17002291 0.80 PTGS2 (0.55) PTGS2CA1CA2CA5ACA5B
SCHEMBL17002425 0.80 PTGS2 (0.55) PTGS2CA1CA2CA5ACA5B
SCHEMBL17002292 0.80 PTGS2 (0.55) PTGS2CA1CA2CA5ACA5B
SCHEMBL23086229 0.79 HSD17B1 (0.74) PTGS2CA1CA2CA5ACA5B
SCHEMBL12420378 0.79 FLT3 (0.69) PTGS2CA1CA2CA5ACA5B
SCHEMBL12420373 0.79 FLT3 (0.69) PTGS2CA1CA2CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790868-A1 SULFAMATE DERIVATIVES OF 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENOL, DERIVATIVES OF 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENOL, THEIR MEDICAL USE AND THE METHOD OF OBTAINING 4-(1-PHENYL-1H-[1,2,3]TRIAZOL-4-YL)-PHENYL SULFAMATE DERIVATIVES Politechnika Gdanska (PL) 2021-03-17 EP disclosed
US-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-03-26 US disclosed
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-08-31 US disclosed
US-9620723-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-04-11 US disclosed
EP-2321862-B1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LAB (JP) 2014-11-19 EP disclosed
CN-102144313-B Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2014-07-30 CN disclosed
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-09 US disclosed
US-8343639-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-01 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 US disclosed
CN-102144313-A Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2011-08-03 CN disclosed
EP-2321862-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME Semiconductor Energy Laboratory Co, Ltd. (JP) 2011-05-18 EP disclosed
WO-2010027004-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-03-11 WO disclosed
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-03-11 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-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same OXA1L, BECN1, MAP1LC3A PTGS2 3209/4885CA1 2434/4885CA2 2963/4885
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A PTGS2 3209/4885CA1 2434/4885CA2 2963/4885
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A PTGS2 3209/4885CA1 2434/4885CA2 2963/4885
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 PTGS2 4297/4885CA1 3117/4885CA2 3505/4885
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A PTGS2 3209/4885CA1 2434/4885CA2 2963/4885

“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.