SCHEMBL984873

SCHEMBL984873

O=[N+]([O-])c1ccc(-c2ncco2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.67
KCNH2 Q12809 1/20 0.67
MAPT P10636 8/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
NOTUM Q6P988 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
LTA4H P09960 1/20 0.47
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
MMP13 P45452 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
GSK3B P49841 2/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL3043645 0.91 LTA4H (0.63) KCNJ1KCNH2MAPTNPC1RAB9A
SCHEMBL4649622 0.80 NPC1 (0.57) KCNJ1KCNH2MAPTNPC1RAB9A
SCHEMBL722557 0.80 LTA4H (0.64) KCNJ1KCNH2NOTUMLTA4H
SCHEMBL14988101 0.78 KCNJ1 (0.46) KCNJ1KCNH2MAPTRAB9AMEN1
SCHEMBL28810936 0.78 KCNJ1 (0.46) KCNJ1KCNH2MAPTNPC1RAB9A
SCHEMBL28362996 0.78 LTA4H (0.62) KCNJ1KCNH2LTA4H
SCHEMBL28320605 0.78 LTA4H (0.62) KCNJ1KCNH2LTA4H
SCHEMBL28257875 0.78 LTA4H (0.62) KCNJ1KCNH2LTA4H
SCHEMBL29033804 0.76 KCNJ1 (0.44) KCNJ1KCNH2MAPTNPC1RAB9A
SCHEMBL16412236 0.76 KCNJ1 (0.44) KCNJ1KCNH2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 US claimed
US-12559495-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2026-02-24 US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-109776537-B Purine diones as WNT pathway modulators 新加坡科技研究局 2021-12-14 CN disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 US disclosed
US-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 US disclosed
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-18 US disclosed
EP-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 EP disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
US-5770615-A Catecholamine surrogates useful as β3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-23 US disclosed
WO-1997037646-A1 CATECHOLAMINE SURROGATES USEFUL AS β3 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-16 WO disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (6 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-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 KCNJ1 3173/4885KCNH2 2919/4885MAPT 4782/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 KCNJ1 2611/4885KCNH2 2512/4885MAPT 4783/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 KCNJ1 3173/4885KCNH2 2919/4885MAPT 4782/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KCNJ1 2611/4885KCNH2 2512/4885MAPT 4783/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 KCNJ1 3173/4885KCNH2 2919/4885MAPT 4782/4885
US-12559495-B2 Purine diones as Wnt pathway modulators WNT1, CTNND1, WNT3A KCNJ1 474/4885KCNH2 692/4885MAPT 4457/4885

“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.