SCHEMBL332200

SCHEMBL332200

O=C=Nc1ccc(Sc2ccccc2)c(N=C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.49
▸ TRPA1 O75762 1/20 0.49
▸ MAPK1 P28482 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ PDE7A Q13946 2/20 0.35
▸ PDE7B Q9NP56 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL9462259 0.90 CYP3A4 (0.51) CYP3A4TRPA1MAPK1TDP1ALDH1A1
SCHEMBL9462057 0.85 CYP3A4 (0.50) CYP3A4TRPA1MAPK1TDP1ALDH1A1
SCHEMBL624408 0.81 CYP3A4 (0.44) CYP3A4MAPK1TDP1MAPTKDM4E
SCHEMBL331001 0.81 MIF (0.46) CYP3A4TDP1MAPTKDM4EALDH1A1
SCHEMBL484026 0.80 CYP3A4 (0.40) CYP3A4TRPA1MAPK1TDP1MAPT
SCHEMBL30568788 0.80 CYP3A4 (0.40) CYP3A4TRPA1MAPK1TDP1MAPT
SCHEMBL11210522 0.79 CYP3A4 (0.58) CYP3A4TRPA1MAPK1TDP1ALDH1A1
SCHEMBL17847456 0.78 CYP3A4 (0.41) CYP3A4MAPK1TDP1MAPTKDM4E
SCHEMBL17847452 0.77 CYP3A4 (0.42) CYP3A4MAPK1TDP1MAPTKDM4E
SCHEMBL19713006 0.77 CYP3A4 (0.47) CYP3A4TRPA1MAPK1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539998-A1 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2019-09-18 — — EP claimed
EP-2682430-B2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2019-07-17 — — EP claimed
US-10067266-B2 Method of producing resin for thiourethane-based optical material using general-purpose polyisocyanate compound, resin composition for thiourethane-based optical material and thiourethane-based optical material including resin produced by the method KOC SOLUTION CO., LTD. (KR) 2018-09-04 — — US claimed
EP-2682430-B1 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2015-10-21 — — EP claimed
US-20150226879-A1 METHOD OF MANUFACTURING THIOURETHANE - BASED OPTICAL MATERIAL KOC SOLUTION CO., LTD. (KR) 2015-08-13 — — US claimed
US-20140039145-A1 METHOD OF PRODUCING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING GENERAL-PURPOSE POLYISOCYANATE COMPOUND, RESIN COMPOSITION FOR THIOURETHANE-BASED OPTICAL MATERIAL AND THIOURETHANE-BASED OPTICAL MATERIAL INCLUDING RESIN PRODUCED BY THE METHOD KOC SOLUTION CO LTD (KR) 2014-02-06 — — US claimed
EP-2682430-A2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2014-01-08 — — EP claimed
US-20130303721-A1 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY MITSUI CHEMICALS, INC. (JP) 2013-11-14 — — US claimed
EP-2660262-A2 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2013-11-06 — — EP claimed
CN-114207069-B Multi-zone foldable adhesive film and method of making the same 株式会社LG化学 2024-05-24 — — CN disclosed
CN-110869355-B Benzopyran compound, curable composition containing the compound, and optical article containing cured product formed from the curable composition 株式会社德山 2023-11-14 — — CN disclosed
EP-3539998-B1 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY MITSUI CHEMICALS INC (JP) 2023-10-18 — — EP disclosed
CN-112424260-B Photochromic compound and curable composition containing the same 株式会社德山 2023-10-13 — — CN disclosed
US-11760721-B2 Polymerizable composition for polythiourethane-based optical material SKC CO., LTD. (KR) 2023-09-19 — — US disclosed
EP-1484352-A1 THIOEPOXY BASED POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCTION THEREOF MITSUI CHEMICALS, INC. (JP) 2004-12-08 — — EP disclosed
CN-1075635-C A polyurethane base lens MITSUI CHEMICALS INC (JP) 2001-11-28 — — CN disclosed
CN-1129811-A A polyurethane base lens MITSUI TOATSU CHEMICALS (JP) 1996-08-28 — — CN disclosed
EP-0378895-A1 A mercapto compound, a high refractive index resin and lens and a process for preparing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-07-25 — — EP disclosed
CN-1036082-A High refractive index plastic lens and manufacture method thereof MITSUI TOATSU CHEMICALS (JP) 1989-10-04 — — CN disclosed
US-4129678-A POLYIMIDE, POLYAMIDEIMIDE OR POLYESTERIMIDE LAYER AND POLYVINYL FORMAL OR EPOXY RESIN LAYER HITACHI, LTD. (JP) 1978-12-12 — — 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 (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-11760721-B2 Polymerizable composition for polythiourethane-based optical material LAGE3, INCENP, IK CYP3A4 3947/4885TRPA1 2396/4885MAPK1 2894/4885

“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.

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